Current predictor: Aerobic biodegradation

Last update: June 26, 2022
Dataset used for model development
Download the complete dataset  

Summary:
Total entries: 12750
Ready entries:  11477
Inherent entries: 1273

Index Substance name CAS number SMILES Time (day) Guideline Principle Endpoint Reliability Value
1 Bubet 407-64-7 C[N+](C)(C)CCCC(=O)[O-] 14.0 EU Method C.4-A DOC Die Away Ready 1 0.98
2 (3-aminopropyl)({[(3-aminopropyl)dimethylsilyl]oxy})dimethylsilane 2469-55-8 C[Si](C)(CCCN)O[Si](C)(C)CCCN 28.0 EU Method C.4-A DOC Die Away Ready 1 0.67
3 3-(dimethoxymethylsilyl)propyl methacrylate 14513-34-9 C=C(C)C(=O)OCCC[Si](C)(OC)OC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.74
4 3-(trimethoxysilyl)propyl 2-methylprop-2-enoate 2530-85-0 C=C(C)C(=O)OCCC[Si](OC)(OC)OC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.74
5 3-(triethoxysilyl)propyl 2-methylprop-2-enoate 21142-29-0 C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.74
6 2-(tert-butylamino)ethyl 2-methylprop-2-enoate 3775-90-4 C=C(C)C(=O)OCCNC(C)(C)C 28.0 EU Method C.4-A DOC Die Away Ready 1 0.37
7 2-(tert-butylamino)ethyl 2-methylprop-2-enoate 3775-90-4 C=C(C)C(=O)OCCNC(C)(C)C 24.0 EU Method C.4-A DOC Die Away Ready 1 0.48
8 sodium 2-methylprop-2-ene-1-sulfonate 1561-92-8 C=C(C)CS(=O)(=O)[O-].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.03
9 bis(acetyloxy)(ethenyl)silyl acetate 4130-08-9 C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O 21.0 EU Method C.4-A DOC Die Away Ready 1 0.74
10 tri(isopropoxy)vinylsilane 18023-33-1 C=C[Si](OC(C)C)(OC(C)C)OC(C)C 28.0 EU Method C.4-A DOC Die Away Ready 1 0.89
11 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 C=C[Si](OCCOC)(OCCOC)OCCOC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.89
12 sodium prop-2-enoate 7446-81-3 C=CC(=O)[O-].[Na+] 9.0 EU Method C.4-A DOC Die Away Ready 1 0.95
13 zinc(2+) ion bis(prop-2-enoate) 14643-87-9 C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2] 9.0 EU Method C.4-A DOC Die Away Ready 2 0.95
14 prop-2-enoic acid 79-10-7 C=CC(=O)O 9.0 EU Method C.4-A DOC Die Away Ready 1 0.95
15 tert-butyl prop-2-enoate 1663-39-4 C=CC(=O)OC(C)(C)C 9.0 EU Method C.4-A DOC Die Away Ready 1 0.95
16 2-phenyl-4,5-dihydro-1H-imidazole 936-49-2 c1ccc(C2=[NH+]CCN2)cc1 28.0 EU Method C.4-A DOC Die Away Ready 2 0.68
17 1,3,5,7-tetraazatricyclo[3.3.1.1³,⁷]decane 100-97-0 C1N2CN3CN1CN(C2)C3 28.0 EU Method C.4-A DOC Die Away Ready 2 0.39
18 1,2,4-triazole 288-88-0 c1nc[nH]n1 24.0 EU Method C.4-A DOC Die Away Ready 1 0.16
19 potassium acetate 127-08-2 CC(=O)[O-].[K+] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
20 potassium acetate 127-08-2 CC(=O)[O-].[K+] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
21 potassium acetate 127-08-2 CC(=O)[O-].[K+] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
22 potassium acetate 127-08-2 CC(=O)[O-].[K+] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
23 potassium acetate 127-08-2 CC(=O)[O-].[K+] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
24 sodium acetate 127-09-3 CC(=O)[O-].[Na+] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
25 sodium acetate 127-09-3 CC(=O)[O-].[Na+] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
26 sodium acetate 127-09-3 CC(=O)[O-].[Na+] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
27 sodium acetate 127-09-3 CC(=O)[O-].[Na+] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
28 sodium acetate 127-09-3 CC(=O)[O-].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
29 ammonium acetate 631-61-8 CC(=O)[O-].[NH4+] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
30 ammonium acetate 631-61-8 CC(=O)[O-].[NH4+] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
31 ammonium acetate 631-61-8 CC(=O)[O-].[NH4+] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
32 ammonium acetate 631-61-8 CC(=O)[O-].[NH4+] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
33 ammonium acetate 631-61-8 CC(=O)[O-].[NH4+] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
34 calcium diacetate 62-54-4 CC(=O)[O-].CC(=O)[O-].[Ca+2] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
35 calcium diacetate 62-54-4 CC(=O)[O-].CC(=O)[O-].[Ca+2] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
36 calcium diacetate 62-54-4 CC(=O)[O-].CC(=O)[O-].[Ca+2] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
37 calcium diacetate 62-54-4 CC(=O)[O-].CC(=O)[O-].[Ca+2] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
38 calcium diacetate 62-54-4 CC(=O)[O-].CC(=O)[O-].[Ca+2] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
39 magnesium(2+) diacetate 142-72-3 CC(=O)[O-].CC(=O)[O-].[Mg+2] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
40 magnesium(2+) diacetate 142-72-3 CC(=O)[O-].CC(=O)[O-].[Mg+2] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
41 magnesium(2+) diacetate 142-72-3 CC(=O)[O-].CC(=O)[O-].[Mg+2] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
42 magnesium(2+) diacetate 142-72-3 CC(=O)[O-].CC(=O)[O-].[Mg+2] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
43 magnesium(2+) ion diacetate 142-72-3 CC(=O)[O-].CC(=O)[O-].[Mg+2] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
44 zinc(2+) diacetate 557-34-6 CC(=O)[O-].CC(=O)[O-].[Zn+2] 7.0 EU Method C.4-A DOC Die Away Ready 2 0.86
45 zinc(2+) diacetate 557-34-6 CC(=O)[O-].CC(=O)[O-].[Zn+2] 21.0 EU Method C.4-A DOC Die Away Ready 2 0.91
46 zinc(2+) diacetate 557-34-6 CC(=O)[O-].CC(=O)[O-].[Zn+2] 14.0 EU Method C.4-A DOC Die Away Ready 2 0.93
47 zinc(2+) diacetate 557-34-6 CC(=O)[O-].CC(=O)[O-].[Zn+2] 27.0 EU Method C.4-A DOC Die Away Ready 2 0.99
48 zinc(2+) ion diacetate 557-34-6 CC(=O)[O-].CC(=O)[O-].[Zn+2] 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
49 sodium hydrogen diacetate 126-96-5 CC(=O)O.CC(=O)[O-].[Na+] 7.0 EU Method C.4-A DOC Die Away Ready 1 0.86
50 sodium hydrogen diacetate 126-96-5 CC(=O)O.CC(=O)[O-].[Na+] 21.0 EU Method C.4-A DOC Die Away Ready 1 0.91
51 sodium hydrogen diacetate 126-96-5 CC(=O)O.CC(=O)[O-].[Na+] 14.0 EU Method C.4-A DOC Die Away Ready 1 0.93
52 sodium hydrogen diacetate 126-96-5 CC(=O)O.CC(=O)[O-].[Na+] 27.0 EU Method C.4-A DOC Die Away Ready 1 0.99
53 sodium hydrogen diacetate 126-96-5 CC(=O)O.CC(=O)[O-].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.99
54 bis(acetyloxy)(methyl)silyl acetate 4253-34-3 CC(=O)O[Si](C)(OC(C)=O)OC(C)=O 21.0 EU Method C.4-A DOC Die Away Ready 1 0.74
55 4-tert-butylphenol 98-54-4 CC(C)(C)c1ccc(O)cc1 28.0 EU Method C.4-A DOC Die Away Ready 2 0.98
56 2-tert-butylphenol 88-18-6 CC(C)(C)c1ccccc1O 28.0 EU Method C.4-A DOC Die Away Ready 2 0.98
57 2-methylpropan-2-ol 75-65-0 CC(C)(C)O 28.0 EU Method C.4-A DOC Die Away Ready 2 0.99
58 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid 53445-37-7 CC(CC(=O)O)CC(C)(C)C(=O)O 7.0 EU Method C.4-A DOC Die Away Ready 1 0.25
59 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid 53445-37-7 CC(CC(=O)O)CC(C)(C)C(=O)O 14.0 EU Method C.4-A DOC Die Away Ready 1 0.44
60 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid 53445-37-7 CC(CC(=O)O)CC(C)(C)C(=O)O 21.0 EU Method C.4-A DOC Die Away Ready 1 0.56
61 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid 53445-37-7 CC(CC(=O)O)CC(C)(C)C(=O)O 28.0 EU Method C.4-A DOC Die Away Ready 1 0.73
62 2,2,4-trimethylhexane-1,6-diamine 25513-64-8 CC(CCN)CC(C)(C)CN 28.0 EU Method C.4-A DOC Die Away Ready 1 0.07
63 bis(acetyloxy)(ethyl)silyl acetate 17689-77-9 CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O 21.0 EU Method C.4-A DOC Die Away Ready 1 0.74
64 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine 2855-13-2 CC1(C)CC(N)CC(C)(CN)C1.Cc1ccc(S(=O)(=O)O)cc1 28.0 EU Method C.4-A DOC Die Away Ready 1 0.08
65 N1,N6-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine 61260-55-7 CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 28.0 EU Method C.4-A DOC Die Away Ready 1 0.13
66 4-hydroxy-2,2,6,6-tetramethylpiperidinoxyl 2226-96-2 CC1(C)CC(O)CC(C)(C)N1[O] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.09
67 3,5,5-trimethylcyclohex-2-en-1-one 78-59-1 CC1=CC(=O)CC(C)(C)C1 28.0 EU Method C.4-A DOC Die Away Ready 1 0.95
68 3,5-dimethylaniline 108-69-0 Cc1cc(C)cc(N)c1 20.0 EU Method C.4-A DOC Die Away Ready 2 0.25
69 3,5-dimethylaniline 108-69-0 Cc1cc(C)cc(N)c1 28.0 EU Method C.4-A DOC Die Away Ready 2 0.95
70 Trisodium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]cobaltate(3-) 84204-70-6 Cc1nn(-c2ccccc2)c2c1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1O[Co-]1(Oc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])/N=N/c3c(C)nn(-c4ccccc4)c3O1)O2.[Na+].[Na+].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.0
71 5-methylisoxazole-4-carboxylic acid 42831-50-5 Cc1oncc1C(=O)[O-] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.9
72 2-(2-methylbutan-2-yl)phenol 3279-27-4 CCC(C)(C)c1ccccc1O 28.0 EU Method C.4-A DOC Die Away Ready 2 0.98
73 sodium [(2-methylpropoxy)methanethioyl]sulfanide 25306-75-6 CCC(C)OC(=S)S.[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.9770000000000001
74 trichloro(propyl)silane 141-57-1 CCC[Si](Cl)(Cl)Cl 7.0 EU Method C.4-A DOC Die Away Ready 1 0.5
75 trichloro(propyl)silane 141-57-1 CCC[Si](Cl)(Cl)Cl 21.0 EU Method C.4-A DOC Die Away Ready 1 0.54
76 trichloro(propyl)silane 141-57-1 CCC[Si](Cl)(Cl)Cl 28.0 EU Method C.4-A DOC Die Away Ready 1 0.54
77 trichloro(propyl)silane 141-57-1 CCC[Si](Cl)(Cl)Cl 14.0 EU Method C.4-A DOC Die Away Ready 1 0.55
78 trichloro(propyl)silane 141-57-1 CCC[Si](Cl)(Cl)Cl 27.0 EU Method C.4-A DOC Die Away Ready 1 0.55
79 trimethoxy(propyl)silane 1067-25-0 CCC[Si](OC)(OC)OC 7.0 EU Method C.4-A DOC Die Away Ready 1 0.5
80 trimethoxy(propyl)silane 1067-25-0 CCC[Si](OC)(OC)OC 21.0 EU Method C.4-A DOC Die Away Ready 1 0.54
81 trimethoxy(propyl)silane 1067-25-0 CCC[Si](OC)(OC)OC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.54
82 trimethoxy(propyl)silane 1067-25-0 CCC[Si](OC)(OC)OC 14.0 EU Method C.4-A DOC Die Away Ready 1 0.55
83 trimethoxy(propyl)silane 1067-25-0 CCC[Si](OC)(OC)OC 27.0 EU Method C.4-A DOC Die Away Ready 1 0.55
84 sodium 2-ethylhexyl sulfate 126-92-1 CCCCC(CC)COS(=O)(=O)[O-].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.97
85 hexyltrimethoxysilane 3069-19-0 CCCCCC[Si](OC)(OC)OC 7.0 EU Method C.4-A DOC Die Away Ready 1 0.5
86 hexyltrimethoxysilane 3069-19-0 CCCCCC[Si](OC)(OC)OC 21.0 EU Method C.4-A DOC Die Away Ready 1 0.54
87 hexyltrimethoxysilane 3069-19-0 CCCCCC[Si](OC)(OC)OC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.54
88 hexyltrimethoxysilane 3069-19-0 CCCCCC[Si](OC)(OC)OC 14.0 EU Method C.4-A DOC Die Away Ready 1 0.55
89 hexyltrimethoxysilane 3069-19-0 CCCCCC[Si](OC)(OC)OC 27.0 EU Method C.4-A DOC Die Away Ready 1 0.55
90 4-(tridecan-3-yl)benzene-1-sulfonic acid 85536-14-7 CCCCCCCCCCCCc1ccccc1.CS(=O)(=O)O 28.0 EU Method C.4-A DOC Die Away Ready 1 0.94
91 3-(chlorodimethylsilyl)propyl 2-methylprop-2-enoate 24636-31-5 CCCOC(=O)/C(C)=C/[Si](C)(C)Cl 28.0 EU Method C.4-A DOC Die Away Ready 1 0.74
92 tetrasodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate 130201-57-9 CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4ccc5c(S(=O)(=O)[O-])cccc5c4S(=O)(=O)[O-])c(O)c23)n1.[Na+].[Na+].[Na+].[Na+] 28.0 EU Method C.4-A DOC Die Away Ready 1 0.0
93 triethoxy(methyl)silane 2031-67-6 CCO[Si](C)(OCC)OCC 21.0 EU Method C.4-A DOC Die Away Ready 1 0.74
94 (3-aminopropyl)triethoxysilane 919-30-2 CCO[Si](CCCN)(OCC)OCC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.67
95 (2-aminoethyl)[3-(triethoxysilyl)propyl]amine 5089-72-5 CCO[Si](CCCNCCN)(OCC)OCC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.39
96 tetraethyl silicate 78-10-4 CCO[Si](OCC)(OCC)OCC 28.0 EU Method C.4-A DOC Die Away Ready 1 0.98
97 ethyl 2-(4-hydroxyphenoxy)propanoate 71301-98-9 CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 15.0 EU Method C.4-A DOC Die Away Ready 1 0.175
98 ethyl 2-(4-hydroxyphenoxy)propanoate 71301-98-9 CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 7.0 EU Method C.4-A DOC Die Away Ready 1 0.251
99 ethyl 2-(4-hydroxyphenoxy)propanoate 71301-98-9 CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 21.0 EU Method C.4-A DOC Die Away Ready 1 0.698
100 ethyl 2-(4-hydroxyphenoxy)propanoate 71301-98-9 CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 27.0 EU Method C.4-A DOC Die Away Ready 1 0.938

Note: 
Above table only shows the first 100 entries of the dataset used to build this model.
To access the complete dataset, please click on the "Download the complete dataset" on the top right corner to download the original file.