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: | t423 | |
|---|---|---|
| Name: | bis(2,3,3,3-tetrachloropropyl) ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 127-90-2 | |
| InChi Code: | InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.28 |
experimental value |
| 3.1321 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.1321 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |