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: | e315 | |
|---|---|---|
| Name: | diazinon | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 333-41-5 | |
| InChi Code: | InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.70 |
experimental value |
| 0.6124 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 0.6124 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020407 | US EPA CompTox Dashboard |