Molecule ID: mol22926
SMILES: O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1
InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.88 | AttenGpKa training set | 0 » -1 |
| 4.04 | AttenGpKa training set | -1 » -2 |