Molecule ID: mol5605
SMILES: O=C(O)c1ccc(Cl)cc1
InChI: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.82 | OCHEM | 0 » -1 |
| 3.82 | Baltruschat ChEMBL | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.97 | Baltruschat ChEMBL | 0 » -1 |
| 3.98 | Datawarrior | 0 » -1 |
| 3.98 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | Baltruschat ChEMBL | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.99 | IUPAC digitized pKa | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 5.05 | QSARToolbox | 0 » -1 |
| 5.08 | QSARToolbox | 0 » -1 |
| 5.27 | QSARToolbox | 0 » -1 |
| 5.53 | QSARToolbox | 0 » -1 |
| 5.75 | QSARToolbox | 0 » -1 |
| 5.93 | QSARToolbox | 0 » -1 |