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:24
Name:2,5-Dinitrotoluene
Description:
Labels:
CAS:619-15-8
InChi Code:InChI=1/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3

Properties

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

ValueSource or prediction
-0.63

experimental value

-0.75

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

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