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: | e525 | |
|---|---|---|
| Name: | 3-benzylidene camphor | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 15087-24-8 | |
| InChi Code: | InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11+ |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.54 |
experimental value |
| 1.9841 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.9841 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |