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: | e50 | |
|---|---|---|
| Name: | hexachlorocyclopentadiene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 77-47-4 | |
| InChi Code: | InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.18 |
experimental value |
| 2.9891 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020688 | US EPA CompTox Dashboard |