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: | t427 | |
|---|---|---|
| Name: | 2-dimethoxyphosphinothioylsulfanyl-n-methylacetamide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 60-51-5 | |
| InChi Code: | InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.26 |
experimental value |
| -0.2759 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| -0.2759 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |