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: | t39 | |
|---|---|---|
| Name: | triphenylene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 217-59-4 | |
| InChi Code: | InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.41 |
experimental value |
| 3.9271 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.9271 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9059757 | US EPA CompTox Dashboard |