Molecule ID: mol28975
SMILES: O=[N+]([O-])c1ccccc1P(=O)(O)O
InChI: InChI=1S/C6H6NO5P/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | AttenGpKa training set | 0 » -1 |
| 1.45 | QSARToolbox | 0 » -1 |
| 1.45 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | -1 » -2 |
| 6.74 | QSARToolbox | -1 » -2 |
| 6.90 | AttenGpKa training set | -1 » -2 |