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: | t150 | |
|---|---|---|
| Name: | 2,2,3-trimethyl decane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 62338-09-4 | |
| InChi Code: | InChI=1S/C13H28/c1-6-7-8-9-10-11-12(2)13(3,4)5/h12H,6-11H2,1-5H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.34 |
experimental value |
| 3.5418 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.5418 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |