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 |
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. https://doi.org/10.1002/qsar.19950140503
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.