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: | 404 | |
|---|---|---|
| Name: | acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acetic Acid | |
| Labels: | ||
| CAS: | 64-19-7 | |
| InChi Code: | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.6469 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.59781 |
experimental value |
| -1.9314 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5024394 | US EPA CompTox Dashboard |