Molecule ID: mol5604
SMILES: O=C(O)c1cccc(Cl)c1
InChI: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.81 | OCHEM | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.80 | Datawarrior | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | IUPAC digitized pKa | 0 » -1 |
| 3.82 | OCHEM | 0 » -1 |
| 3.82 | Baltruschat ChEMBL | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | AttenGpKa training set | 0 » -1 |
| 3.84 | IUPAC digitized pKa | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | Baltruschat ChEMBL | 0 » -1 |