Molecule ID: mol15787
SMILES: CCOC(=O)Nc1ncnc2nc[nH]c12
InChI: InChI=1S/C8H9N5O2/c1-2-15-8(14)13-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,1H3,(H2,9,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | Datawarrior | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 9.63 | Datawarrior | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 12.20 | Datawarrior | -1 » -2 |