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:e327
Name:nanofin
Description:
Labels:Validation, 2
CAS:504-03-0
InChi Code:InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.20

experimental value

1.2053

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

1.2053

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