Molecule ID: mol7289
SMILES: CCOC(=O)c1cnc(N)nc1N
InChI: InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.07 | OCHEM | 1 » 0 |
| 5.07 | AttenGpKa training set | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |