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: | p14 | |
|---|---|---|
| Name: | t-decalin | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 493-02-7 | |
| InChi Code: | InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10- |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.52 |
experimental value |
| 3.3382 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 3.3382 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |