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:t178
Name:2,3,4,5-tetrachlorobiphenyl
Description:
Labels:Training
CAS:33284-53-6
InChi Code:InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.39

experimental value

3.7703

Tab2: Multilinear model for diverse chemicals (Training set)

3.7703

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

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