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: | t251 | |
|---|---|---|
| Name: | 4,4'-dichlorobenzilic acid ethyl ester | |
| Description: | ||
| Labels: | Training | |
| CAS: | 510-15-6 | |
| InChi Code: | InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.68 |
experimental value |
| 1.9698 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.9698 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020299 | US EPA CompTox Dashboard |