Molecule ID: mol22337
SMILES: O=C(O)C12CC([N+](=O)[O-])(C1)C2
InChI: InChI=1S/C6H7NO4/c8-4(9)5-1-6(2-5,3-5)7(10)11/h1-3H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | AttenGpKa training set | 0 » -1 |