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: | t388 | |
|---|---|---|
| Name: | 4-chloro-1-nitro-2(trifluoromethyl) benzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 118-83-2 | |
| InChi Code: | InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.87 |
experimental value |
| 2.4241 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.4241 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |