Molecule ID: mol7302
SMILES: COC(=O)c1cc(N)nc(N)n1
InChI: InChI=1S/C6H8N4O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3,(H4,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | AttenGpKa training set | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |