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: | t33 | |
|---|---|---|
| Name: | 1-phenyl naphthalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 605-02-7 | |
| InChi Code: | InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.51 |
experimental value |
| 3.1351 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.1351 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |