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:t450
Name:phosphoric acid [(e)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] dimethyl ester
Description:
Labels:Training
CAS:961-11-5
InChi Code:InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
1.6

experimental value

1.9660

Tab2: Multilinear model for diverse chemicals (Training set)

1.9660

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