Molecule ID: mol5625
SMILES: O=C(O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | QSARToolbox | 0 » -1 |
| 3.35 | QSARToolbox | 0 » -1 |
| 3.35 | QSARToolbox | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | Baltruschat ChEMBL | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.46 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | Datawarrior | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | Baltruschat ChEMBL | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.47 | IUPAC digitized pKa | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | IUPAC digitized pKa | 0 » -1 |
| 3.52 | AttenGpKa training set | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.33 | OCHEM | 0 » -1 |
| 4.33 | Baltruschat ChEMBL | 0 » -1 |
| 4.39 | QSARToolbox | 0 » -1 |
| 4.39 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |