Molecule ID: mol13984
SMILES: S=c1[nH]c(=S)c2[nH]cnc2[nH]1
InChI: InChI=1S/C5H4N4S2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | QSARToolbox | 1 » 0 |
| 5.02 | Datawarrior | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 9.97 | Datawarrior | -2 » -3 |