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: | e468 | |
|---|---|---|
| Name: | 1,2,3,4,7,7-hexachloronorbornadiene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 3389-71-7 | |
| InChi Code: | InChI=1S/C7H2Cl6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H/t5-,6+ |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.81 |
experimental value |
| 3.0070 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.0070 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |