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: | 590 | |
|---|---|---|
| Name: | hex-1-yne | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-hexyne | |
| Labels: | ||
| CAS: | 693-02-7 | |
| InChi Code: | InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.07035 |
experimental value |
| -0.2674 |
Tab2.Model_3: Global half-life index (Training set) |