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: | t54 | |
|---|---|---|
| Name: | 1,2,3,7-tetrachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 67028-18-6 | |
| InChi Code: | InChI=1S/C12H4Cl4O2/c13-5-1-2-7-8(3-5)17-9-4-6(14)10(15)11(16)12(9)18-7/h1-4H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 3.2539 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.2539 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID40217291 | US EPA CompTox Dashboard |