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: | t432 | |
|---|---|---|
| Name: | 1-chloro-4-[(prop-2-yn-1-yloxy)methoxy]benzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H9ClO2/c1-2-7-12-8-13-10-5-3-9(11)4-6-10/h1,3-6H,7-8H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.03 |
experimental value |
| 2.0374 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.0374 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |