Molecule ID: mol2575
SMILES: O=C(O)Cc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | AttenGpKa training set | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | Hunt | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |