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: | t113 | |
|---|---|---|
| Name: | 1,5,9-cyclododecatriene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 4904-61-4 | |
| InChi Code: | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8- |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.92 |
experimental value |
| 2.8088 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.8088 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8027581 | US EPA CompTox Dashboard |