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: | 115 | |
|---|---|---|
| Name: | 4-nitrophenetole | |
| Description: | ||
| Labels: | ||
| CAS: | 100-29-8 | |
| InChi Code: |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.83 |
experimental value |
| 0.63 |
4: All compounds (Training) |
| 0.60 |
7: All compounds (Training) |
| 0.66 |
10: Selected compounds (Training) |
| 0.53 |
11: Selected compounds (Training) |