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: | e190 | |
|---|---|---|
| Name: | 4-nonylphenol | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 104-40-5 | |
| InChi Code: | InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.43 |
experimental value |
| 2.3503 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.3503 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5033836 | US EPA CompTox Dashboard |