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: | t41 | |
|---|---|---|
| Name: | chrysene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 218-01-9 | |
| InChi Code: | InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.24 |
experimental value |
| 3.8167 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.8167 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022432 | US EPA CompTox Dashboard |