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: | e556 | |
|---|---|---|
| Name: | 4-(2,4,6-trichlorophenoxy)aniline | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 26306-61-6 | |
| InChi Code: | InChI=1S/C12H8Cl3NO/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6H,16H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.95 |
experimental value |
| 2.6587 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.6587 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20180919 | US EPA CompTox Dashboard |