Molecule ID: mol21747
SMILES: O=C(O)c1c(Cl)ccc(Cl)c1C(=O)O
InChI: InChI=1S/C8H4Cl2O4/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2H,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.46 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.46 | OCHEM | 0 » -1 |
| 1.46 | OCHEM | 0 » -1 |
| 3.46 | QSARToolbox | -1 » -2 |
| 3.46 | QSARToolbox | -1 » -2 |