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: | e11 | |
|---|---|---|
| Name: | parathion | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 56-38-2 | |
| InChi Code: | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.99 |
experimental value |
| 1.4932 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.4932 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021100 | US EPA CompTox Dashboard |