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: | t151 | |
|---|---|---|
| Name: | 1,1,6-trimethyl tetralin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 475-03-6 | |
| InChi Code: | InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.33 |
experimental value |
| 2.8163 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.8163 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |