Molecule ID: mol1825
SMILES: O=C(O)COc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | OCHEM | 0 » -1 |
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.93 | AttenGpKa training set | 0 » -1 |
| 2.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | Hunt | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |