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:52
Name:2,6-NO2-4-CH3
Description:
Labels:
CAS:609-93-8
InChi Code:

Properties

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

ValueSource or prediction
1.230

experimental value

0.908

1: All phenols (Training)

1.218

7: All phenols (Training)

1.182

11: Selected phenols (pKa < 6.3) (Training)