Molecule ID: mol8973
SMILES: NC(=O)C(Cl)[N+](=O)[O-]
InChI: InChI=1S/C2H3ClN2O3/c3-1(2(4)6)5(7)8/h1H,(H2,4,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | IUPAC digitized pKa | 0 » -1 |
| 3.50 | AttenGpKa training set | 0 » -1 |
| 3.56 | IUPAC digitized pKa | 0 » -1 |