Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, T.W. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2002, 49, 10, 1201–1221.
Compound
| ID: | 184 | |
|---|---|---|
| Name: | 2-Chloromethyl-4-nitrophenol | |
| Description: | ||
| Labels: | training | |
| CAS: | 2973-19-5 | |
| InChi Code: |
Properties
MOA: Mode of action
| Value | Source or prediction |
|---|---|
| Soft electrophile |
experimental value |
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.75 |
experimental value |
| 0.90 |
4: All compounds (Training) |
| 0.95 |
5: Selected compounds (Training) |
| 0.96 |
8: All compounds (Training) |
| 1.01 |
9: Selected compounds (Training) |