Molecule ID: mol7050
SMILES: Cc1nc(N)nc(C)c1-c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C12H12N4O2/c1-7-11(8(2)15-12(13)14-7)9-4-3-5-10(6-9)16(17)18/h3-6H,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | OCHEM | 1 » 0 |
| 4.47 | QSARToolbox | 1 » 0 |
| 4.47 | IUPAC digitized pKa | 1 » 0 |