Schultz, T.W.; Lin, D.T.; Wesley, S.K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 2, 132–143.

80 compounds | Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Details
1	Phenol	-0.431	View
2	2-Methylphenol	-0.274	View
3	2-Ethylphenol	0.176	View
4	2-Allylphenol	0.346	View
5	2-Isopropylphenol	0.803	View
6	2-tert-Butylphenol	1.239	View
7	2-Phenylphenol	1.094	View
8	2-Fluorophenol	0.284	View
9	2-Chlorophenol	0.277	View
10	2-Bromophenol	0.504	View
11	2-Nitrophenol	0.670	View
12	2-Cyanophenol	0.031	View
13	2-Hydroxybenzaldehyde	0.483	View
14	2-Acetylphenol	0.078	View
15	2-Aminophenol	0.941	View
16	2-Hydroxyphenol	0.752	View
17	2-Carboxyphenol	-0.618	View
18	2-Acetoamidophenol	NTAS	View
19	2-Hydroxybenzamide	-0.242	View
20	2-Hydroxybenzyl alcohol	-0.953	View
21	2-Hydroxybenzaldoxime	-0.252	View
22	3-Methylphenol	-0.062	View
23	3-Ethylphenol	0.229	View
24	3-Isopropylphenol	0.609	View
25	3-tert-Butylphenol	0.730	View
26	3-Phenylphenol	1.351	View
27	3-Pentadecylphenol	NTAS	View
28	3-Chlorophenol	0.957	View
29	3-Iodophenol	1.118	View
30	3-Nitrophenol	0.506	View
31	3-Cyanophenol	-0.065	View
32	3-Hydroxybenzaldehyde	0.085	View
33	3-Acetylphenol	-0.381	View
34	3-Carboxylphenol	-0.828	View
35	3-Aminophenol	-0.544	View
36	3-Hydroxyphenol	-0.652	View
37	3-Methoxyphenol	-0.143	View
38	3-Hydroxybenzyl alcohol	-1.043	View
39	Methyl-3-hydroxybenzoate	-0.046	View
40	Ethyl-3-hydroxybenzoate	0.478	View
41	4-Ethylphenol	0.206	View
42	4-Propylphenol	0.635	View
43	4-Isopropylphenol	0.473	View
44	4-sec-Butylphenol	0.980	View
45	4-tert-Butylphenol	0.913	View
46	4-tert-Pentylphenol	1.233	View
47	4-Cyclopentylphenol	1.292	View
48	4-Phenylphenol	1.383	View
49	4-Hydroxyphenylmethane	1.195	View
50	4-tert-Octylphenol	2.092	View
51	4-Tritylphenol	NTAS	View
52	α,α,α-Trifluoro-p-cresol	0.618	View
53	4-Fluorophenol	0.017	View
54	4-Chlorophenol	0.545	View
55	3-Fluorophenol	0.473	View
56	4-Bromophenol	0.681	View
57	4-Iodophenol	0.854	View
58	4-Nitrophenol	1.926	View
59	4-Nitrosophenol	0.654	View
60	4-Cyanophenol	0.516	View
61	4-Hydroxybenzaldehyde	0.266	View
62	4-Acetylphenol	-0.093	View
63	4-Carboxylphenol	-1.319	View
64	4-Hydroxypropiophenone	0.056	View
65	4-Hydroxybenzophenone	1.024	View
66	4-Hydroxybenzylcyanide	-0.384	View
67	4-Aminophenol	-0.076	View
68	4-Hydroxyphenol	0.473	View
69	4-Methoxyphenol	-0.143	View
70	4-Ethoxyphenol	0.013	View
71	4-Butoxyphenol	0.702	View
72	4-Benzyloxyphenol	1.038	View
73	4-Hexyloxyphenol	1.648	View
74	4-Heptyloxyphenol	2.033	View
75	4-Acetamidophenol	-0.819	View
76	4-Hydroxybenzamide	-0.780	View
77	4-Hydroxybenzyl alcohol	NTAS	View
78	4-Hydroxyphenethyl alcohol	-0.828	View
79	Methyl-4-hydroxybenzoate	0.084	View
80	Ethyl-4-hydroxybenzoate	0.572	View

Bibliography

Schultz, T. W.; Lin, D. T.; Wesley, S. K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 132–143.
Schultz, T. W. Aquatic toxicology of nitrogen heterocyclic molecules: Quantitative structure-activity relationships. In Aquatic Toxicology; Nriagu, J.O., Ed.; John Wiley & Sons; 1983.

10967/80 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Lin, D.T.; Wesley, S.K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 2, 132–143.

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