Molecule ID: mol891
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |
| 3.41 | Baltruschat ChEMBL | 0 » -1 |
| 3.42 | OCHEM | 0 » -1 |
| 3.42 | Hunt | 0 » -1 |
| 3.42 | Baltruschat ChEMBL | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.42 | IUPAC digitized pKa | 0 » -1 |
| 3.43 | IUPAC digitized pKa | 0 » -1 |
| 3.43 | Datawarrior | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.43 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | AttenGpKa training set | 0 » -1 |
| 3.44 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.48 | IUPAC digitized pKa | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | Baltruschat ChEMBL | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |