REPOSITORY ABOUT GUIDELINES CITING BLOG

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.

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

  1. 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.

  2. Schultz, T. W. Aquatic toxicology of nitrogen heterocyclic molecules: Quantitative structure-activity relationships. In Aquatic Toxicology; Nriagu, J.O., Ed.; John Wiley & Sons; 1983.