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: | e555 | |
|---|---|---|
| Name: | 1,4-di(phenyl)benzene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 26140-60-3 | |
| InChi Code: | InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.01 |
experimental value |
| 3.3094 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.3094 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |