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: | e451 | |
|---|---|---|
| Name: | 1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 2440-02-0 | |
| InChi Code: | InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.05 |
experimental value |
| 3.1474 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.1474 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |