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: | t269 | |
|---|---|---|
| Name: | 2,2-bis(4'-hydroxy-3',5'-dibromophenyl) propane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 79-94-7 | |
| InChi Code: | InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.43 |
experimental value |
| 2.7143 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.7143 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |