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: | e407 | |
|---|---|---|
| Name: | methidathion | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 950-37-8 | |
| InChi Code: | InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.49 |
experimental value |
| -0.4658 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| -0.4658 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020819 | US EPA CompTox Dashboard |