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: | t210 | |
|---|---|---|
| Name: | 2,3',4,4'-tetrachlorodiphenyl ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 61328-46-9 | |
| InChi Code: | InChI=1S/C12H6Cl4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.24 |
experimental value |
| 3.6771 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.6771 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00210243 | US EPA CompTox Dashboard |