Molecule ID: mol7298
SMILES: Nc1ncnc(S)c1N
InChI: InChI=1S/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | Datawarrior | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.27 | IUPAC digitized pKa | 1 » 0 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | OCHEM | 0 » -1 |
| 9.34 | Datawarrior | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |