Molecule ID: mol1857
SMILES: O=[N+]([O-])c1cccc([N+](=O)[O-])c1O
InChI: InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.65 | IUPAC digitized pKa | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | Baltruschat ChEMBL | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.71 | Hunt | 0 » -1 |
| 3.71 | OCHEM | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.89 | AttenGpKa training set | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |