Molecule ID: mol13987
SMILES: O=S1(=O)N=CNc2nc[nH]c21
InChI: InChI=1S/C4H4N4O2S/c9-11(10)4-3(5-1-7-4)6-2-8-11/h1-2H,(H,5,7)(H,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Datawarrior | 0 » -1 |
| 5.59 | QSARToolbox | 0 » -1 |
| 5.59 | OCHEM | 0 » -1 |
| 11.00 | Datawarrior | -1 » -2 |