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: | t144 | |
|---|---|---|
| Name: | 3,5-di-tert-butylbiphenyl-4-ol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2668-47-5 | |
| InChi Code: | InChI=1S/C20H26O/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.78 |
experimental value |
| 2.6513 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.6513 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |