Schultz, T.W.; Bearden, A.P.; Jaworska, J.S. A novel QSAR approach for estimating toxicity of phenols. SAR QSAR Environ. Res. 1996, 5, 2, 99–112.
Compound
| ID: | 14 | |
|---|---|---|
| Name: | 3-CH3 | |
| Description: | ||
| Labels: | ||
| CAS: | 108-39-4 | |
| InChi Code: |
Properties
pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -0.077 |
experimental value |
| 0.469 |
1: All phenols (Training) |
| 0.326 |
7: All phenols (Training) |
| 0.034 |
8: Selected phenols (pKa >= 9.8) (Training) |