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: | t249 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentabromo-6-chlorocyclohexane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 87-84-3 | |
| InChi Code: | InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.41 |
experimental value |
| 2.9848 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.9848 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4025828 | US EPA CompTox Dashboard |