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: | t160 | |
|---|---|---|
| Name: | tetrabromo-2-chlorotoluene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 39569-21-6 | |
| InChi Code: | InChI=1S/C7H3Br4Cl/c1-2-3(8)4(9)5(10)6(11)7(2)12/h1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.98 |
experimental value |
| 3.1690 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.1690 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |