10967/71 - QDB Compounds

QsarDB Repository

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:22
Name:3-F
Description:
Labels:
CAS:372-20-3
InChi Code:

Properties

pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
0.381

experimental value

0.438

1: All phenols (Training)

0.350

7: All phenols (Training)

0.623

9: Selected phenols (6.3 <= pKa < 9.8) (Training)