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:69
Name:methyl-4-nitrobenzoate
Description:
Labels:
CAS:619-50-1
InChi Code:

Properties

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

ValueSource or prediction
0.40

experimental value

1.06

4: All compounds (Training)

0.73

7: All compounds (Training)

1.02

10: Selected compounds (Training)

0.67

11: Selected compounds (Training)

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