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: | t441 | |
|---|---|---|
| Name: | phenylphosphinic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1779-48-2 | |
| InChi Code: | InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.78 |
experimental value |
| -0.0247 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| -0.0247 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |