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:p49
Name:2,7-dichlorodibenzo-p-dioxin
Description:
Labels:Validation, 1
CAS:33857-26-0
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.22

experimental value

2.5373

Tab2: Multilinear model for diverse chemicals (External validation set 1)

2.5373

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources