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:p109
Name:4-tetradecyl-benzenesulfonic acid
Description:
Labels:Validation, 1
CAS:47377-16-2
InChi Code:InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23/h15-18H,2-14H2,1H3,(H,21,22,23)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.52

experimental value

1.8889

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

1.8889

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