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: | e567 | |
|---|---|---|
| Name: | 1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 28680-44-6 | |
| InChi Code: | InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.81 |
experimental value |
| 3.1220 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.1220 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |