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: | p50 | |
|---|---|---|
| Name: | 1,2,3,7-tetrachlorodibenzofuran | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 83704-22-7 | |
| InChi Code: | InChI=1S/C12H4Cl4O/c13-5-1-2-6-8(3-5)17-9-4-7(14)11(15)12(16)10(6)9/h1-4H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.41 |
experimental value |
| 2.7743 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.7743 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID10232537 | US EPA CompTox Dashboard |