Molecule ID: mol5620
SMILES: COc1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | Datawarrior | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | QSARToolbox | 0 » -1 |
| 4.47 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.47 | OCHEM | 0 » -1 |
| 4.47 | OCHEM | 0 » -1 |
| 4.47 | OCHEM | 0 » -1 |
| 4.47 | OCHEM | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | OCHEM | 0 » -1 |
| 4.49 | OCHEM | 0 » -1 |
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | IUPAC digitized pKa | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |