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:e491
Name:di-2-naphthyl disulfide
Description:
Labels:Validation, 2
CAS:5586-15-2
InChi Code:InChI=1S/C20H14S2/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
0.39

experimental value

3.6863

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