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:t392
Name:2,4-dichloro-6-nitrophenol
Description:
Labels:Training
CAS:609-89-2
InChi Code:InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.31

experimental value

1.6949

Tab2: Multilinear model for diverse chemicals (Training set)

1.6949

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

Links to External Resources