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: | p260 | |
|---|---|---|
| Name: | 1-(2-chlorophenyl)ethane-1,2-diol | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 59365-60-5 | |
| InChi Code: | InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.54 |
experimental value |
| 0.3307 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 0.3307 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |