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: | t167 | |
|---|---|---|
| Name: | 2,4,4'-trichlorobiphenyl | |
| Description: | ||
| Labels: | Training | |
| CAS: | 7012-37-5 | |
| InChi Code: | InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.33 |
experimental value |
| 3.4807 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.4807 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2038310 | US EPA CompTox Dashboard |