Molecule ID: mol1920
SMILES: O=C(O)Cc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | Hunt | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | AttenGpKa training set | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |