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:t179
Name:3,3',4,4'-tetrachlorobiphenyl
Description:
Labels:Training
CAS:32598-13-3
InChi Code:InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
3.51

experimental value

3.8507

Tab2: Multilinear model for diverse chemicals (Training set)

3.8507

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

Links to External Resources