Molecule ID: mol12379
SMILES: Sc1ccnc(S)n1
InChI: InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.46 | Datawarrior | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 11.19 | QSARToolbox | -1 » -2 |
| 11.19 | Datawarrior | -1 » -2 |
| 11.19 | OCHEM | -1 » -2 |