Molecule ID: mol10938
SMILES: O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1
InChI: InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.91 | IUPAC digitized pKa | -1 » -2 |
| 14.91 | AttenGpKa training set | -1 » -2 |