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: | e386 | |
|---|---|---|
| Name: | phosmet | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 732-11-6 | |
| InChi Code: | InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.26 |
experimental value |
| 0.6418 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 0.6418 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5024261 | US EPA CompTox Dashboard |