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: | e554 | |
|---|---|---|
| Name: | nonoxynol 30 | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 26027-38-3 | |
| InChi Code: | InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.14 |
experimental value |
| 2.0133 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.0133 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |