10967/9 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Manga, N.; Seward, J.R.; Sinks, G.D.; Schultz, T.W. Parametrization of Electrophilicity for the Prediction of the Toxicity of Aromatic Compounds. Chem. Res. Toxicol. 2001, 14, 11, 1498–1505.

Compound

ID:114
Name:5-chloro-2-methylnitrobenzene
Description:
Labels:
CAS:89-59-8
InChi Code:

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
0.82

experimental value

1.10

4: All compounds (Training)

0.94

7: All compounds (Training)

1.13

10: Selected compounds (Training)

0.87

11: Selected compounds (Training)