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: | e448 | |
|---|---|---|
| Name: | 2-methylisoborneol | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 2371-42-8 | |
| InChi Code: | InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.48 |
experimental value |
| 2.0155 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.0155 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |