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: | e549 | |
|---|---|---|
| Name: | 1,2,3-trichloro-4-phenylbenzene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 25323-68-6 | |
| InChi Code: | InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.16 |
experimental value |
| 3.4042 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.4042 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |