Benigni, R.; Bossa, C.; Netzeva, T. I.; Rodomonte, A.; Tsakovska, I. Mechanistic QSAR of aromatic amines: New models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens. Environ. Mol. Mutagen. 2007, 48, 754–771.

111 compounds | Property TA100: Mutagenicity for strain TA100 + S9 metabolism [[lg(revertants/nmol)]]

ID	Name	TA100	Details
1	1-Aminofluoranthene	2.34	View
2	1-Amino-2-methylnaphthalene	-0.37	View
3	1-Aminoanthracene	0.36	View
4	1-Aminonaphthalene	-1	View
5	1-Aminocarbazole	-0.25	View
6	1-Aminofluorene	-0.04	View
7	1-Aminophenanthrene	1.79	View
8	1-Aminopyrene	1.05	View
9	2,2'-Diaminobiphenyl	-100	View
10	2,4,5-Trimethylaniline	-0.26	View
11	2,4-Diaminoisopropylbenzene	-100	View
12	2,4-Difluoroaniline	-2.52	View
13	2,4-Dimethylaniline i	-0.23	View
14	2,4'-Diaminobiphenyl	-100	View
15	2,6-Dichloro-1,4-phenylenediamine	-1.12	View
16	2-Amino-1-methylnaphthalene	0.84	View
17	2-Amino-3-methylnaphthalene	1.09	View
18	2-Amino-4-chlorophenol	-2	View
19	2-Amino-4-methylphenol	-1.68	View
20	2-Aminoanthracene	2.76	View
21	2-Aminobiphenyl	-0.51	View
22	2-Aminocarbazole	-0.56	View
23	2-Aminofluoranthene	2.87	View
24	2-Aminofluorene	0.78	View
25	2-Aminonaphthalene	0.39	View
26	2-Aminophenanthrene	2.74	View
27	2-Aminopyrene	2.58	View
28	2-Ethyl-4-chloroaniline	0.08	View
29	2-Methyl-4-bromoaniline	0.46	View
30	2-Methyl-4-chloroaniline	0.38	View
31	3,3'-Diaminobiphenyl	-100	View
32	3,3'-Dichlorobenzidine	0.66	View
33	3,3'-Dimethoxybenzidine	-0.85	View
34	3,4'-Diaminobiphenyl	0.65	View
35	3-Amino-4-methylbiphenyl	0.09	View
36	3-Trifluoromethylaniline	-100	View
37	3-Aminocarbazole i	-0.11	View
38	3-Aminofluoranthene	2.25	View
39	3-Aminofluorene	0.1	View
40	3-Aminophenanthrene	2.66	View
41	3-Aminoquinoline	0.07	View
42	4,4'-Ethylenebis(aniline)	-1.51	View
43	4,4'-Methylenebis(o-ethylaniline)	-0.55	View
44	4,4'-Methylenebis(o-fluoroaniline)	-1.16	View
45	4,4'-Methylenebis(o-isopropyl-aniline)	-100	View
46	4,4'-Methylenedianiline i	-0.15	View
47	4-Aminophenyldisulfide	0.54	View
48	4-Amino-3-methylbiphenyl	1.12	View
49	4-Aminobiphenyl	0.85	View
50	4-Aminocarbazole	-0.47	View
51	4-Aminofluorene	0.64	View
52	4-Aminophenanthrene	-0.11	View
53	4-Aminophenylether	-0.27	View
54	4-Aminophenylsulfide	0.48	View
55	4-Aminopyrene	2.69	View
56	4-Bromoaniline	-100	View
57	4-Chloro-1,2-phenylenediamine	-1.44	View
58	4-Cyclohexylaniline	-0.14	View
59	4-Ethoxyaniline i	-0.61	View
60	4-Methoxy-2-methylaniline i	-2.1	View
61	2-Chloro-4-methylaniline	-100	View
62	4-Methyl-2-chloroaniline	-0.4	View
63	4-Phenoxyaniline	0.63	View
64	5-Aminoquinoline	0.14	View
65	6-Aminochrysene	2.41	View
66	6-Aminoquinoline	-1.22	View
67	7-Aminofluoranthene	2.76	View
68	8-Aminofluoranthene	1.98	View
69	8-Aminoquinoline	-0.34	View
70	9-Aminoanthracene	-0.24	View
71	9-Aminophenanthrene	2.79	View
72	Benzidine	-0.66	View
73	4-Methoxyaniline i	-100	View
74	3-Methoxyaniline	-100	View
75	Aniline i	-100	View
76	3-Chloroaniline	-100	View
77	3-Ethoxyaniline	-100	View
78	2-Ethoxyaniline	-100	View
79	4-Aminophenol	-100	View
80	3-Aminophenol	-100	View
81	4,4'-Methylenebis(2,6-diisopropylaniline)	-100	View
82	4,4'-Methylenebis(2,6-diethylaniline)	-100	View
83	4,4'-Methylenebis(2-methyl-6-t-butylaniline)	-100	View
84	4,4'-Methylenebis(2-methyl-6-isopropylaniline)	-100	View
85	4,4'-Methylenebis(2-methyl-6-ethylaniline)	-100	View
86	4,4'-Methylenebis(2,6-dimethylaniline)	-100	View
87	3-Aminobiphenyl	-100	View
88	2,3'-Diaminobiphenyl i	-100	View
89	2-Methoxyaniline i	-100	View
90	2-Aminophenol	-100	View
91	2,4,6-Trimethylaniline i	-100	View
92	2,4,6-Tribromoaniline	-100	View
93	2,4,6-Trichloroaniline	-100	View
94	2,6-Diethylaniline	-100	View
95	3,5-Dimethylaniline	-100	View
96	2,6-Dimethylaniline	-100	View
97	2,4-Dibromoaniline	-100	View
98	2,4-Dichloroaniline	-100	View
99	4-Iodoaniline	-100	View
100	2-Iodoaniline	-100	View
101	2-Fluoroaniline	-100	View
102	2-Bromoaniline	-100	View
103	4-Ethylaniline	-100	View
104	2-Ethylaniline	-100	View
105	4-Methylaniline i	-100	View
106	3-Methylaniline i	-100	View
107	2-Methylaniline i	-100	View
108	4'-nButyl-4-aminobiphenyl	-100	View
109	4'-tButyl-4-aminobiphenyl	-100	View
110	4'-Trifluoromethyl-4-aminobiphenyl	-100	View
111	3'-Trifluoromethyl-4-aminobiphenyl	-100	View

10967/141 - QDB Compounds

QsarDB Repository

Benigni, R.; Bossa, C.; Netzeva, T. I.; Rodomonte, A.; Tsakovska, I. Mechanistic QSAR of aromatic amines: New models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens. Environ. Mol. Mutagen. 2007, 48, 754–771.

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