Molecule ID: mol5621
SMILES: Cc1ccccc1C(=O)O
InChI: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.88 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.91 | IUPAC digitized pKa | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | IUPAC digitized pKa | 0 » -1 |
| 3.91 | OCHEM | 0 » -1 |
| 3.92 | Datawarrior | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | QSARToolbox | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.96 | AttenGpKa training set | 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 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |