Molecule ID: mol33244
SMILES: O=C(O)c1ccc(C(=O)O)nc1
InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.31 | QSARToolbox | 0 » -1 |
| 2.31 | QSARToolbox | 0 » -1 |
| 5.12 | OCHEM | -1 » -2 |