Molecule ID: mol4273
SMILES: Cc1nc(N)nc(N)n1
InChI: InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | OCHEM | 1 » 0 |
| 4.59 | Datawarrior | 1 » 0 |
| 4.59 | OCHEM | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | AttenGpKa training set | 1 » 0 |