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:18
Name:2-tolunitrile
Description:
Labels:
CAS:529-19-1
InChi Code:

Properties

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

ValueSource or prediction
-0.24

experimental value

-0.06

4: All compounds (Training)

0.03

7: All compounds (Training)

-0.02

10: Selected compounds (Training)

-0.05

11: Selected compounds (Training)

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