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: | t37 | |
|---|---|---|
| Name: | fluoranthene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 206-44-0 | |
| InChi Code: | InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.71 |
experimental value |
| 3.0983 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.0983 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024104 | US EPA CompTox Dashboard |