Molecule ID: mol21789
SMILES: O=C(O)C=Cc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.05 | OCHEM | 0 » -1 |
| 4.05 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |