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: | t27 | |
|---|---|---|
| Name: | 1-hydroxy-2-tert butyl-4-methyl benzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 25567-40-2 | |
| InChi Code: | InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.87 |
experimental value |
| 1.4814 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.4814 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |