Molecule ID: mol5747
SMILES: NC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChI: InChI=1S/C13H12N4O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H,(H2,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.79 | IUPAC digitized pKa | 0 » -1 |
| 10.40 | IUPAC digitized pKa | 1 » 0 |