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: | t279 | |
|---|---|---|
| Name: | 2- (2-aminoethylamino)ethanol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 111-41-1 | |
| InChi Code: | InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.46 |
experimental value |
| 0.1688 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.1688 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |