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:e555
Name:1,4-di(phenyl)benzene
Description:
Labels:Validation, 2
CAS:26140-60-3
InChi Code:InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.01

experimental value

3.3094

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

3.3094

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)