Molecule ID: mol31874
SMILES: O=C(O)c1ccccc1C(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C9H5Cl3O3/c10-9(11,12)7(13)5-3-1-2-4-6(5)8(14)15/h1-4H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 4.99 | OCHEM | 0 » -1 |