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: | 499 | |
|---|---|---|
| Name: | methylcyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexane. methyl- | |
| Labels: | ||
| CAS: | 108-87-2 | |
| InChi Code: | InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.47674 |
experimental value |
| -0.4119 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.570825461 |
experimental value |
| -0.2363 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0047749 | US EPA CompTox Dashboard |