Molecule ID: mol4188
SMILES: CCNc1ccnc(S)n1
InChI: InChI=1S/C6H9N3S/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | OCHEM | 1 » 0 |
| 3.10 | Datawarrior | 1 » 0 |
| 11.13 | Datawarrior | 0 » -1 |
| 11.13 | OCHEM | 0 » -1 |
| 11.15 | IUPAC digitized pKa | 0 » -1 |