Molecule ID: mol4878
SMILES: CN(C)C(=O)c1ncnc2nc[nH]c12
InChI: InChI=1S/C8H9N5O/c1-13(2)8(14)6-5-7(11-3-9-5)12-4-10-6/h3-4H,1-2H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | IUPAC digitized pKa | 2 » 1 |
| 7.90 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | Datawarrior | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |