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: | e399 | |
|---|---|---|
| Name: | 9-methyl-phenanthrene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 883-20-5 | |
| InChi Code: | InChI=1S/C15H12/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-10H,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.56 |
experimental value |
| 3.2624 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.2624 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |