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:t188
Name:2,3',4,4',5-pentachlorobiphenyl
Description:
Labels:Training
CAS:31508-00-6
InChi Code:InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.38

experimental value

4.1712

Tab2: Multilinear model for diverse chemicals (Training set)

4.1712

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

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