Molecule ID: mol7051
SMILES: Cc1nc(N)nc(C)c1-c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H12N4O2/c1-7-11(8(2)15-12(13)14-7)9-3-5-10(6-4-9)16(17)18/h3-6H,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | OCHEM | 1 » 0 |
| 4.54 | QSARToolbox | 1 » 0 |
| 4.54 | IUPAC digitized pKa | 1 » 0 |
| 4.54 | OCHEM | 1 » 0 |