10967/22 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Applehans, F.M. Correlations for the acute toxicity of multiple nitrogen substituted aromatic molecules. Ecotoxicol. Environ. Saf. 1985, 10, 1, 75–85.

Compound

ID:22
Name:1,2-Dinitrobenzene
Description:
Labels:
CAS:528-29-0
InChi Code:

Properties

pIGC50: 60-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
1.291

experimental value

0.605

1: All compounds (Training)

0.748

4: Arenes (Training)

0.535

6: Compounds with multiple polar groups (Training)

1.273

7: Compounds with ortho- or para-oriented groups (Training)

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