Molecule ID: mol28078
SMILES: N=C(Nc1ccc(Cl)cc1)N[N+](=O)[O-]
InChI: InChI=1S/C7H7ClN4O2/c8-5-1-3-6(4-2-5)10-7(9)11-12(13)14/h1-4H,(H3,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | QSARToolbox | 0 » -1 |
| 9.70 | AttenGpKa training set | 0 » -1 |