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: | t334 | |
|---|---|---|
| Name: | 2,4,6-trichlorophenyl (4'-nitrophenyl)ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1836-77-7 | |
| InChi Code: | InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.11 |
experimental value |
| 3.4077 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.4077 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |