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: | t213 | |
|---|---|---|
| Name: | 3,3',4,4',6-pentachlorodiphenyl ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 60123-65-1 | |
| InChi Code: | InChI=1S/C12H5Cl5O/c13-7-2-1-6(3-8(7)14)18-12-5-10(16)9(15)4-11(12)17/h1-5H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.08 |
experimental value |
| 4.0412 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 4.0412 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |