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: | t200 | |
|---|---|---|
| Name: | 1,2,4,5-tetrachlorobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-94-3 | |
| InChi Code: | InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.45 |
experimental value |
| 2.8171 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.8171 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024320 | US EPA CompTox Dashboard |