Molecule ID: mol10036
SMILES: O=C(O)c1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | AttenGpKa training set | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.66 | OCHEM | 0 » -1 |
| 3.66 | Baltruschat ChEMBL | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | Baltruschat ChEMBL | 0 » -1 |