Molecule ID: mol23463
SMILES: O=C(O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.62 | AttenGpKa training set | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |