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:t244
Name:4-isopropenyl-chlorobenzene
Description:
Labels:Training
CAS:1712-70-5
InChi Code:InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.84

experimental value

1.8772

Tab2: Multilinear model for diverse chemicals (Training set)

1.8772

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