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:p7
Name:2,6-dimethyldecane
Description:
Labels:Validation, 1
CAS:13150-81-7
InChi Code:InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
3.18

experimental value

3.5520

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

3.5520

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