Molecule ID: mol8316
SMILES: Cn1cnc2c(S)ncnc21
InChI: InChI=1S/C6H6N4S/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | IUPAC digitized pKa | 0 » -1 |