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: | t185 | |
|---|---|---|
| Name: | 2,2',4,6,6'-pentachlorobiphenyl | |
| Description: | ||
| Labels: | Training | |
| CAS: | 56558-16-8 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.81 |
experimental value |
| 4.2395 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 4.2395 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0074184 | US EPA CompTox Dashboard |