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: | 483 | |
|---|---|---|
| Name: | prop-2-enal | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Propenal | |
| Labels: | ||
| CAS: | 107-02-8 | |
| InChi Code: | InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| -0.31 |
experimental value |
| 0.8477 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -2.79419 |
experimental value |
| -1.5094 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020023 | US EPA CompTox Dashboard |