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: | 824 | |
|---|---|---|
| Name: | isothiocyanatomethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl Isothiocyanate | |
| Labels: | ||
| CAS: | 556-61-6 | |
| InChi Code: | InChI=1S/C2H3NS/c1-3-2-4/h1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.97 |
experimental value |
| 1.3584 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2027204 | US EPA CompTox Dashboard |