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:16
Name:5-Nitrobenzotriazole
Description:
Labels:
CAS:2338-12-7
InChi Code:

Properties

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

ValueSource or prediction
0.749

experimental value

0.759

1: All compounds (Training)

0.809

3: Indoles and indole analogs (Training)

0.572

5: Compounds with a single polar group (Training)

0.644

8: Compounds with meta-oriented groups (Training)

0.916

9: First meta-substituted subset (Training)

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