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: | t416 | |
|---|---|---|
| Name: | 2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 56113-42-9 | |
| InChi Code: | InChI=1S/C8H3Cl4NO3/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H2,13,14)(H,15,16) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.49 |
experimental value |
| 1.6213 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.6213 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |