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: | 642 | |
|---|---|---|
| Name: | carbamimidothioic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Thiourea | |
| Labels: | ||
| CAS: | 62-56-6 | |
| InChi Code: | InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.85 |
experimental value |
| 0.9899 |
Tab2.Model_2: logKoc (Training set) |