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: | t212 | |
|---|---|---|
| Name: | 2,2',4,4',5-pentachlorodiphenyl ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 60123-64-0 | |
| InChi Code: | InChI=1S/C12H5Cl5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.21 |
experimental value |
| 4.0029 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 4.0029 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |