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: | t433 | |
|---|---|---|
| Name: | dicumylperoxide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 80-43-3 | |
| InChi Code: | InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.63 |
experimental value |
| 2.7576 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.7576 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1025017 | US EPA CompTox Dashboard |