Molecule ID: mol10131
SMILES: Cc1cnc2c(=S)nc[nH]c2n1
InChI: InChI=1S/C7H6N4S/c1-4-2-8-5-6(11-4)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | IUPAC digitized pKa | 0 » -1 |
| 7.02 | Datawarrior | 0 » -1 |
| 7.02 | OCHEM | 0 » -1 |