10967/44 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Moulton, B.A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 3, 353–359.

Compound

ID:9
Name:Aniline
Description:
Labels:
CAS:62-53-3
InChi Code:

Properties

IGC50: 60-h Tetrahymena toxicity as IGC50 [mmol/L]

ValueSource or prediction
1.66

experimental value

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

ValueSource or prediction
-0.2202

experimental value

-0.1626

1: All compounds (Training)

-0.5471

3: Subsets I, II, III, IV, V, VII, IX, X (Training)

-0.6731

4: Subsets I, II, III, IV, V, VII, IX, X (Training)

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