Molecule ID: mol12767
SMILES: CN1Cc2[nH]cnc2N(C)C1=O
InChI: InChI=1S/C7H10N4O/c1-10-3-5-6(9-4-8-5)11(2)7(10)12/h4H,3H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.25 | Datawarrior | 0 » -1 |
| 11.25 | OCHEM | 0 » -1 |
| 11.25 | QSARToolbox | 0 » -1 |