Molecule ID: mol13599
SMILES: Cc1cc(S)nc(S)n1
InChI: InChI=1S/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | QSARToolbox | 0 » -1 |
| 6.87 | Datawarrior | 0 » -1 |
| 12.02 | Datawarrior | -1 » -2 |
| 12.02 | OCHEM | -1 » -2 |