Molecule ID: mol1909
SMILES: O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1
InChI: InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | Baltruschat ChEMBL | 0 » -1 |
| 5.04 | IUPAC digitized pKa | 0 » -1 |
| 5.10 | AttenGpKa training set | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |
| 5.20 | IUPAC digitized pKa | 0 » -1 |
| 5.21 | IUPAC digitized pKa | 0 » -1 |
| 5.21 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | Hunt | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | QSARToolbox | 0 » -1 |
| 5.21 | QSARToolbox | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | QSARToolbox | 0 » -1 |
| 5.21 | IUPAC digitized pKa | 0 » -1 |
| 5.22 | OCHEM | 0 » -1 |
| 5.22 | OCHEM | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.91 | QSARToolbox | 0 » -1 |
| 5.91 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.78 | QSARToolbox | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 8.59 | QSARToolbox | 0 » -1 |
| 8.59 | QSARToolbox | 0 » -1 |