Molecule ID: mol10488
SMILES: O=C(O)c1cccc(Cl)c1C(=O)O
InChI: InChI=1S/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | -1 » -2 |
| 4.49 | QSARToolbox | -1 » -2 |
| 4.49 | QSARToolbox | -1 » -2 |
| 4.49 | IUPAC digitized pKa | -1 » -2 |
| 4.49 | OCHEM | -1 » -2 |