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: | t357 | |
|---|---|---|
| Name: | 1,4-dioxane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 123-91-1 | |
| InChi Code: | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.3 |
experimental value |
| 0.4585 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.4585 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020533 | US EPA CompTox Dashboard |