Molecule ID: mol6421
SMILES: O=C(O)c1cc(Cl)cc(C(=O)O)n1
InChI: InChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 0 » -1 |
| 1.70 | QSARToolbox | 0 » -1 |
| 3.75 | IUPAC digitized pKa | -1 » -2 |
| 3.75 | OCHEM | -1 » -2 |
| 3.75 | OCHEM | -1 » -2 |
| 3.75 | QSARToolbox | -1 » -2 |