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:35
Name:3-Methyl-2-nitronaphthalene
Description:Changed name from 3-Me-2-nitronaphthalene to 3-Methyl-2-nitronaphthalene
Labels:
CAS:1204-72-4
InChi Code:InChI=1/C11H9NO2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14/h2-7H,1H3

Properties

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

ValueSource or prediction
-0.7

experimental value

0.17

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

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