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
| Value | Source or prediction |
|---|---|
| 0.39 |
experimental value |
| 3.6863 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |