Molecule ID: mol23421
SMILES: O=C(O)CNc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H8N2O4/c11-8(12)5-9-6-1-3-7(4-2-6)10(13)14/h1-4,9H,5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.87 | AttenGpKa training set | 0 » -1 |