Molecule ID: mol7627
SMILES: CCCOc1nc(N)nc(N)n1
InChI: InChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | OCHEM | 1 » 0 |
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 3.70 | AttenGpKa training set | 1 » 0 |