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: | t38 | |
|---|---|---|
| Name: | 1-methylpyrene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2381-21-7 | |
| InChi Code: | InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.73 |
experimental value |
| 3.5741 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.5741 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0025654 | US EPA CompTox Dashboard |