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: | t259 | |
|---|---|---|
| Name: | (2-chloroethoxy-phenylmethyl)benzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 32669-06-0 | |
| InChi Code: | InChI=1S/C15H15ClO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.51 |
experimental value |
| 2.6736 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.6736 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |