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:p397
Name:o-cumenyl methylcarbamate
Description:
Labels:Validation, 1
CAS:2631-40-5
InChi Code:InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.37

experimental value

1.2772

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

1.2772

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

Links to External Resources