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: | e473 | |
|---|---|---|
| Name: | dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 3761-42-0 | |
| InChi Code: | InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.51 |
experimental value |
| 0.3303 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 0.3303 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |