Molecule ID: mol1782
SMILES: O=C(O)c1cc(Cl)ccc1O
InChI: InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.63 | OCHEM | 0 » -1 |
| 2.63 | OCHEM | 0 » -1 |
| 2.63 | OCHEM | 0 » -1 |
| 2.63 | Hunt | 0 » -1 |
| 2.63 | OCHEM | 0 » -1 |
| 2.63 | Baltruschat ChEMBL | 0 » -1 |
| 2.63 | QSARToolbox | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.65 | IUPAC digitized pKa | 0 » -1 |
| 2.65 | IUPAC digitized pKa | 0 » -1 |
| 2.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.65 | OCHEM | 0 » -1 |
| 2.65 | OCHEM | 0 » -1 |
| 2.65 | OCHEM | 0 » -1 |
| 2.65 | OCHEM | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.68 | OCHEM | 0 » -1 |
| 2.68 | IUPAC digitized pKa | 0 » -1 |
| 2.69 | AttenGpKa training set | 0 » -1 |
| 2.69 | QSARToolbox | 0 » -1 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 2.70 | QSARToolbox | 0 » -1 |
| 2.80 | QSARToolbox | 0 » -1 |
| 2.80 | IUPAC digitized pKa | 0 » -1 |
| 5.17 | OCHEM | 0 » -1 |
| 5.17 | Baltruschat ChEMBL | 0 » -1 |
| 12.95 | QSARToolbox | -1 » -2 |
| 13.00 | IUPAC digitized pKa | -1 » -2 |
| 13.00 | OCHEM | -1 » -2 |
| 13.00 | QSARToolbox | -1 » -2 |
| 13.00 | AttenGpKa training set | -1 » -2 |
| 13.05 | IUPAC digitized pKa | -1 » -2 |
| 13.50 | QSARToolbox | -1 » -2 |