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:46
Name:4-Nitrocarbazole
Description:
Labels:
CAS:57905-76-7
InChi Code:InChI=1/C12H8N2O2/c15-14(16)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13H

Properties

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

ValueSource or prediction
-0.3

experimental value

0.59

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

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