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: | t252 | |
|---|---|---|
| Name: | 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 115-32-2 | |
| InChi Code: | InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.53 |
experimental value |
| 3.5304 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.5304 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020450 | US EPA CompTox Dashboard |