10967/79 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Sinks, G.D.; Bearden, A.P. QSAR in Aquatic Toxicology: A Mechanism of Action Approach Comparing Toxic Potency to Pimephales promelas, Tetrahymena pyriformis, and Vibrio fisheri. In Comparative QSAR; Devillers, J., Ed.; Taylor & Francis; 1998.

Compound

ID:469
Name:2-Methyl-1-nitrobenzene
Description:
Labels:
CAS:88-72-2
InChi Code:

Properties

MOA: Mode of action

ValueSource or prediction
Nitrobenzene soft electrophile

experimental value

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

ValueSource or prediction
0.48

experimental value

0.85

60: Nitrobenzene soft electrophilicity (Training)

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