Molecule ID: mol10088
SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1O
InChI: InChI=1S/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.83 | Datawarrior | 0 » -1 |
| 1.83 | OCHEM | 0 » -1 |
| 1.87 | OCHEM | 0 » -1 |
| 1.87 | OCHEM | 0 » -1 |
| 2.23 | IUPAC digitized pKa | 0 » -1 |
| 2.23 | AttenGpKa training set | 0 » -1 |
| 2.23 | QSARToolbox | 0 » -1 |
| 2.23 | QSARToolbox | 0 » -1 |
| 2.23 | QSARToolbox | 0 » -1 |
| 2.27 | OCHEM | 0 » -1 |
| 2.31 | QSARToolbox | 0 » -1 |
| 2.31 | IUPAC digitized pKa | 0 » -1 |
| 10.32 | QSARToolbox | -1 » -2 |
| 10.32 | Datawarrior | -1 » -2 |