Molecule ID: mol4258
SMILES: C=CCOc1nc(N)nc(N)n1
InChI: InChI=1S/C6H9N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H4,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | IUPAC digitized pKa | 1 » 0 |
| 3.43 | Datawarrior | 1 » 0 |
| 3.43 | AttenGpKa training set | 1 » 0 |
| 3.43 | OCHEM | 1 » 0 |