Ren, S.; Schultz, T. W. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors. Toxicol. Lett. 2002, 129, 151–160.

88 compounds | Property Mechanism: Mechanism of aquatic toxicity i

ID	Name	Mechanism	Details
1	Phenol i	N	View
2	o-Cresol i	N	View
3	p-Cresol i	N	View
4	2,4-Dimethylphenol i	N	View
5	2,4,6-Trimethylphenol i	N	View
6	2,3,6-Trimethylphenol i	N	View
7	4-Ethylphenol i	N	View
8	4-Propylphenol i	N	View
9	2-Methyl-3-butyn-2-ol i	R	View
10	2-Allylphenol i	N	View
11	4-Tert-butylphenol i	N	View
12	4-Tert-pentylphenol i	N	View
13	4-Phenylphenol i	N	View
14	Catechol i	R	View
15	Resorcinol i	R	View
16	3-Methoxyphenol i	N	View
17	4-Methoxyphenol i	N	View
18	4-Phenoxyphenol i	N	View
19	2-Chlorophenol i	N	View
20	4-Chlorophenol i	N	View
21	4-Chloro-3-methylphenol i	N	View
22	4-Chlorocatechol i	R	View
23	2,4-Dichlorophenol i	N	View
24	2,4,6-Trichlorophenol i	N	View
25	2,3,4,6-Tetrachlorophenol i	R	View
26	2,3,4,5-Tetrachlorophenol i	R	View
27	Tetrachlorocatechol i	R	View
28	2,4,6-Tribromophenol i	N	View
29	2-Nitrophenol i	R	View
30	2,6-Dinitrophenol i	R	View
31	2,5-Dinitrophenol i	R	View
32	2,4-Dinitrophenol i	R	View
33	(Tert)butyldinitrophenol i	R	View
34	4,6-Dinitro-o-cresol i	R	View
35	Aniline i	N	View
36	4-Toluidine i	N	View
37	4-Ethylaniline i	N	View
38	4-Butylaniline i	N	View
39	3-Benzyloxyaniline i	N	View
40	4-Hexyloxyaniline i	N	View
41	2-Chloroaniline i	N	View
42	2,3,4-Trichloroaniline i	N	View
43	2,3,5,6-Tetrachloroaniline i	R	View
44	2,3,4,5,6-Pentafluoroaniline i	R	View
45	α,α,α-4-Tetrafluoro-3-toluidine i	N	View
46	α,α,α-4-Tetrafluoro-2-toluidine i	N	View
47	4-Ethoxy-2-nitroaniline i	R	View
48	Isopropylbenzene i	N	View
49	1,2,4-Trimethylbenzene i	N	View
50	Butylbenzene i	N	View
51	Amylbenzene i	N	View
52	Biphenyl i	N	View
53	Chlorobenzene i	N	View
54	1,2-Dichlorobenzene i	N	View
55	1,2,4-Trichlorobenzene i	N	View
56	3,4-Dichlorotoluene i	N	View
57	Pentachloropyridine i	R	View
58	Bromobenzene i	N	View
59	Nitrobenzene i	R	View
60	3-Nitrotoluene i	R	View
61	1-Fluoro-4-nitrobenzene i	R	View
62	1-Chloro-3-nitrobenzene i	R	View
63	1-Chloro-2-nitrobenzene i	R	View
64	1,4-Dinitrobenzene i	R	View
65	2,4-Dinitrotoluene i	R	View
66	1,3-Dichloro-4,6-dinitrobenzene i	R	View
67	2-Butyn-1-ol i	R	View
68	Cis-3-hexen-1-ol i	R	View
69	1-Hexen-3-ol i	R	View
70	4-Pentyn-2-ol i	R	View
71	2-Phenyl-3-butyn-2-ol i	R	View
72	2-Propyn-1-ol i	R	View
73	3-Butyn-2-ol i	R	View
74	2-Decyn-1-ol i	R	View
75	3-Butyn-1-ol i	R	View
76	2-Butyn-1,4-diol i	R	View
77	4-Chloroaniline i	N	View
78	4-Bromoaniline i	N	View
79	4-Fluoroaniline i	N	View
80	4-Nitroaniline i	R	View
81	Pentachlorophenol i	R	View
82	4-Nonylphenol i	R	View
83	Pentabromophenol i	R	View
84	3,4-Dichloroaniline i	N	View
85	4-Octylaniline i	N	View
86	2,4,6-Tri(tert)butylphenol i	N	View
87	2,6-Di(tert)butyl-4-methylphenol i	N	View
88	4-Nitrophenol i	R	View

Bibliography

Bearden, A. P.; Schultz, T. W. Structure-activity relationships for Pimephales and Tetrahymena: A mechanism of action approach . Environmental Toxicology and Chemistry 1997, 16, 1311–1317. https://doi.org/10.1002/etc.5620160629

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10967/168 - QDB Compounds

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Ren, S.; Schultz, T. W. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors. Toxicol. Lett. 2002, 129, 151–160.

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