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: | t450 | |
|---|---|---|
| Name: | phosphoric acid [(e)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] dimethyl ester | |
| Description: | ||
| Labels: | Training | |
| CAS: | 961-11-5 | |
| InChi Code: | InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+ |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.6 |
experimental value |
| 1.9660 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.9660 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |