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:6
Name:2,7-Dinitro-9-fluorenone
Description:
Labels:
CAS:31551-45-8
InChi Code:InChI=1/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H

Properties

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

ValueSource or prediction
2.69

experimental value

1.70

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

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