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:t212
Name:2,2',4,4',5-pentachlorodiphenyl ether
Description:
Labels:Training
CAS:60123-64-0
InChi Code:InChI=1S/C12H5Cl5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
4.21

experimental value

4.0029

Tab2: Multilinear model for diverse chemicals (Training set)

4.0029

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