Molecule ID: mol9352
SMILES: S=c1ncnc2[nH][nH]cc1-2
InChI: InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.66 | IUPAC digitized pKa | 1 » 0 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 11.65 | IUPAC digitized pKa | -1 » -2 |