Molecule ID: mol5618
SMILES: COc1ccccc1C(=O)O
InChI: InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 4.02 | OCHEM | 0 » -1 |
| 4.05 | Datawarrior | 0 » -1 |
| 4.05 | OCHEM | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |