10967/144 - QDB Compounds

QsarDB Repository

Lu, G.-H.; Yuan, X.; Zhao, Y.-H. QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus). Chemosphere 2001, 44, 437–440.

Compound

ID:1
Name:4-Nitrotoluene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

Properties

pEC50: 48-h Algal toxicity as log(1/EC50) [log(mol/l)]

ValueSource or prediction
3.74

experimental value

4

Eq1: Substituted benzenes (Training set)

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