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:21
Name:2,3-Diaminonaphthalene
Description:
Labels:
CAS:771-97-1
InChi Code:

Properties

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

ValueSource or prediction
0.460

experimental value

0.534

1: All compounds (Training)

0.705

4: Arenes (Training)

0.484

6: Compounds with multiple polar groups (Training)

0.313

8: Compounds with meta-oriented groups (Training)

0.500

9: First meta-substituted subset (Training)

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