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:t266
Name:9-octadecenylsuccinic acid
Description:
Labels:Training
CAS:28299-29-8
InChi Code:InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)/b10-9+

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.22

experimental value

-0.1360

Tab2: Multilinear model for diverse chemicals (Training set)

-0.1360

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