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: | p23 | |
|---|---|---|
| Name: | 2,3,6-trimethylnaphthalene | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 829-26-5 | |
| InChi Code: | InChI=1S/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3 |
experimental value |
| 2.7975 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.7975 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8061189 | US EPA CompTox Dashboard |