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: | t35 | |
|---|---|---|
| Name: | 9-methyl anthracene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 779-02-2 | |
| InChi Code: | InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.72 |
experimental value |
| 3.1499 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.1499 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |