Molecule ID: mol16028
SMILES: SCc1ncc[nH]1
InChI: InChI=1S/C4H6N2S/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | QSARToolbox | 1 » 0 |
| 6.37 | OCHEM | 1 » 0 |
| 6.37 | Datawarrior | 1 » 0 |
| 9.26 | Datawarrior | 0 » -1 |
| 9.26 | OCHEM | 0 » -1 |