Molecule ID: mol4206
SMILES: CNc1ccnc(S)n1
InChI: InChI=1S/C5H7N3S/c1-6-4-2-3-7-5(9)8-4/h2-3H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | IUPAC digitized pKa | 1 » 0 |
| 3.09 | OCHEM | 1 » 0 |
| 3.09 | Datawarrior | 1 » 0 |
| 11.10 | Datawarrior | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.12 | IUPAC digitized pKa | 0 » -1 |