Molecule ID: mol2523
SMILES: Cc1nc(N)nc(C)c1C(N)=O
InChI: InChI=1S/C7H10N4O/c1-3-5(6(8)12)4(2)11-7(9)10-3/h1-2H3,(H2,8,12)(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | OCHEM | 1 » 0 |
| 3.31 | QSARToolbox | 1 » 0 |
| 3.31 | IUPAC digitized pKa | 1 » 0 |
| 3.31 | Hunt | 1 » 0 |