Molecule ID: mol1905
SMILES: O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 0 » -1 |
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.91 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.95 | IUPAC digitized pKa | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.06 | AttenGpKa training set | 0 » -1 |
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.07 | QSARToolbox | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | Hunt | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.09 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | IUPAC digitized pKa | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.60 | Baltruschat ChEMBL | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.68 | IUPAC digitized pKa | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.73 | QSARToolbox | 0 » -1 |
| 5.92 | QSARToolbox | 0 » -1 |
| 5.92 | QSARToolbox | 0 » -1 |
| 6.95 | QSARToolbox | 0 » -1 |
| 6.95 | QSARToolbox | 0 » -1 |