REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/85 - QDB Compounds

QsarDB Repository

Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432.

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

ID Name pIGC50 Details
1 H 0.350 View
2 2-NH2 0.077 View
3 2-OH 0.770 View
4 2-CH3 0.479 View
5 2-Cl 0.676 View
6 2-Br 0.863 View
7 2-CN 1.076 View
8 2-CH2OH -0.155 View
9 2-COOH -1.637 View
10 2-C6H5 1.301 View
11 2-CONH2 -0.721 View
12 2-CHO 0.174 View
13 2-NO2 1.252 View
14 3-NH2 0.026 View
15 3-OH 0.506 View
16 3-CH3 0.572 View
17 3-Cl 0.836 View
18 3-Br 1.215 View
19 3-CN 0.451 View
20 3-CH2OH -0.220 View
21 3-COOH -1.089 View
22 3-C6H5 1.569 View
23 3-CONH2 -0.193 View
24 3-CHO 0.140 View
25 3-NO2 0.762 View
26 3-OCH3 0.670 View
27 3-COCH3 0.317 View
28 4-CH3 0.796 View
29 4-C2H5 0.804 View
30 4-OCH3 0.544 View
31 4-OC2H5 0.829 View
32 4-OC4H9 1.420 View
33 4-F 0.253 View
34 4-Cl 0.559 View
35 4-Br 0.461 View
36 4-CN 0.569 View
37 4-CH2CN 0.132 View
38 4-CH2Cl 1.180 View
39 4-CH=NOH 0.678 View
40 4-NHC6H5 1.886 View
41 4-CH2OH 0.101 View
42 4-COOH -0.862 View
43 4-COOCH3 0.398 View
44 4-COOC2H5 0.710 View
45 4-CONH2 0.179 View
46 4-CHO 0.203 View
47 4-NO2 1.301 View

Bibliography

  1. Dearden, J. C.; Cronin, M. T. D.; Schultz, T. W.; Lin, D. T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 427–432. http://dx.doi.org/10.1002/qsar.19950140503

  2. Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.