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:e557
Name:2-octyl-1,2-thiazol-3-one
Description:
Labels:Validation, 2
CAS:26530-20-1
InChi Code:InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.22

experimental value

1.2448

Tab2: Multilinear model for diverse chemicals (External validation set 2)

1.2448

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)