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: | e243 | |
|---|---|---|
| Name: | pyridafenthion | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 119-12-0 | |
| InChi Code: | InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.66 |
experimental value |
| 0.7455 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 0.7455 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2042355 | US EPA CompTox Dashboard |