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:16
Name:2-Nitrophenanthrene
Description:
Labels:
CAS:17024-18-9
InChi Code:InChI=1/C14H9NO2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H

Properties

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

ValueSource or prediction
1.79

experimental value

2.39

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

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