Molecule ID: mol8918
SMILES: O=[N+]([O-])C(Cl)[N+](=O)[O-]
InChI: InChI=1S/CHClN2O4/c2-1(3(5)6)4(7)8/h1H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | IUPAC digitized pKa | 0 » -1 |
| 3.36 | IUPAC digitized pKa | 0 » -1 |
| 3.53 | IUPAC digitized pKa | 0 » -1 |
| 3.62 | IUPAC digitized pKa | 0 » -1 |
| 3.67 | AttenGpKa training set | 0 » -1 |
| 3.67 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |