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: | 1358 | |
|---|---|---|
| Name: | 2-methylundecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-methyl undecane | |
| Labels: | ||
| CAS: | 7045-71-8 | |
| InChi Code: | InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.840825461 |
experimental value |
| 0.6216 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7041590 | US EPA CompTox Dashboard |