Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 529 | |
|---|---|---|
| Name: | dodecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N-dodecane | |
| Labels: | ||
| CAS: | 112-40-3 | |
| InChi Code: | InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.22223 |
experimental value |
| -0.3256 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.260825461 |
experimental value |
| 0.6264 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0026913 | US EPA CompTox Dashboard |