10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

ID:e172
Name:1,4-dinitrobenzene
Description:
Labels:Validation, 2
CAS:100-25-4
InChi Code:InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
-0.40

experimental value

1.3085

Tab2: Multilinear model for diverse chemicals (External validation set 2)

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