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:10
Name:3,4-CH3
Description:
Labels:
CAS:95-65-8
InChi Code:

Properties

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

ValueSource or prediction
0.122

experimental value

0.626

1: All phenols (Training)

0.455

7: All phenols (Training)

0.219

8: Selected phenols (pKa >= 9.8) (Training)