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: | t155 | |
|---|---|---|
| Name: | 5-ethyl-1-nonene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 19780-74-6 | |
| InChi Code: | InChI=1S/C11H22/c1-4-7-9-11(6-3)10-8-5-2/h4,11H,1,5-10H2,2-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.43 |
experimental value |
| 3.0086 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.0086 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |