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: | 399 | |
|---|---|---|
| Name: | ethanimidothioic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Thioacetamide | |
| Labels: | ||
| CAS: | 62-55-5 | |
| InChi Code: | InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.78 |
experimental value |
| 1.2918 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.51495 |
experimental value |
| -1.646 |
Tab2.Model_3: Global half-life index (Training set) |