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: | p211 | |
|---|---|---|
| Name: | 3,3',4,4'-tetrachlorodiphenyl ether | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 56348-72-2 | |
| InChi Code: | InChI=1S/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.17 |
experimental value |
| 3.6365 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 3.6365 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20204886 | US EPA CompTox Dashboard |