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: | p187 | |
|---|---|---|
| Name: | 3,3',4,4',5-pentachlorobiphenyl | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 57465-28-8 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.68 |
experimental value |
| 4.2608 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 4.2608 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3032179 | US EPA CompTox Dashboard |