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: | e596 | |
|---|---|---|
| Name: | 4-cyano-4'-hexylbiphenyl | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 41122-70-7 | |
| InChi Code: | InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.64 |
experimental value |
| 2.0487 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.0487 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4025404 | US EPA CompTox Dashboard |