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: | p217 | |
|---|---|---|
| Name: | 4,4'-dichlorodiphenyltrichloroethane | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 50-29-3 | |
| InChi Code: | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.57 |
experimental value |
| 4.3265 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 4.3265 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020375 | US EPA CompTox Dashboard |