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: | p261 | |
|---|---|---|
| Name: | 2,4,4'-trichloro-2'-hydroxydiphenyl ether | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 3380-34-5 | |
| InChi Code: | InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.72 |
experimental value |
| 2.5070 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.5070 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5032498 | US EPA CompTox Dashboard |