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:13
Name:7-Nitrofluoranthene
Description:
Labels:
CAS:13177-31-6
InChi Code:InChI=1/C16H9NO2/c18-17(19)14-9-3-7-12-11-6-1-4-10-5-2-8-13(15(10)11)16(12)14/h1-9H

Properties

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

ValueSource or prediction
2.09

experimental value

2.60

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

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