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: | p247 | |
|---|---|---|
| Name: | dibenzylether | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 103-50-4 | |
| InChi Code: | InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.43 |
experimental value |
| 2.4718 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.4718 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5025819 | US EPA CompTox Dashboard |