10967/171 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR QSAR Environ. Res. 2007, 18, 169–178.

Compound

ID:42
Name:5-Nitroquinoline
Description:Corrected name from 5-Nitroquinolene to 5-Nitroquinoline
Labels:
CAS:607-34-1
InChi Code:InChI=1/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H

Properties

logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]

ValueSource or prediction
-0.7

experimental value

-2.16

Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train)

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