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:p99
Name:2,6-dichlorophenol
Description:
Labels:Validation, 1
CAS:87-65-0
InChi Code:InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.03

experimental value

1.0273

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

1.0273

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

Links to External Resources