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:10
Name:3-Nitrofluoranthene
Description:
Labels:
CAS:892-21-7
InChi Code:InChI=1/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H

Properties

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

ValueSource or prediction
3.31

experimental value

2.60

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

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