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: | t126 | |
|---|---|---|
| Name: | 2,4-dichloro-1-hydroxynaphthalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2050-76-2 | |
| InChi Code: | InChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.35 |
experimental value |
| 1.9477 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.9477 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |