Molecule ID: mol1863
SMILES: O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O
InChI: InChI=1S/C6H3ClN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | AttenGpKa training set | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | Hunt | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |