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: | t257 | |
|---|---|---|
| Name: | 2-(2-methylpropoxy)naphthalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2173-57-1 | |
| InChi Code: | InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.8 |
experimental value |
| 2.4146 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.4146 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1051484 | US EPA CompTox Dashboard |