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: | t147 | |
|---|---|---|
| Name: | 2,4,6-trimethylphenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 527-60-6 | |
| InChi Code: | InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.73 |
experimental value |
| 1.1642 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.1642 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022049 | US EPA CompTox Dashboard |