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: | e559 | |
|---|---|---|
| Name: | n,n-bis(octylphenyl)amine | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 26603-23-6 | |
| InChi Code: | InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.50 |
experimental value |
| 2.7545 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |