Cronin, M.T.D.; Manga, N.; Seward, J.R.; Sinks, G.D.; Schultz, T.W. Parametrization of Electrophilicity for the Prediction of the Toxicity of Aromatic Compounds. Chem. Res. Toxicol. 2001, 14, 11, 1498–1505.
Compound
| ID: | 113 | |
|---|---|---|
| Name: | methyl-4-chloro-2-nitrobenzoate | |
| Description: | ||
| Labels: | ||
| CAS: | 42087-80-9 | |
| InChi Code: |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.82 |
experimental value |
| 1.15 |
4: All compounds (Training) |
| 1.08 |
7: All compounds (Training) |
| 1.14 |
10: Selected compounds (Training) |
| 1.03 |
11: Selected compounds (Training) |