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: | t446 | |
|---|---|---|
| Name: | dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 122-14-5 | |
| InChi Code: | InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.71 |
experimental value |
| 1.0190 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.0190 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |