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: | e472 | |
|---|---|---|
| Name: | dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 3761-41-9 | |
| InChi Code: | InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.10 |
experimental value |
| 0.1873 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 0.1873 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |