Molecule ID: mol5622
SMILES: Cc1cccc(C(=O)O)c1
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.24 | IUPAC digitized pKa | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | IUPAC digitized pKa | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | IUPAC digitized pKa | 0 » -1 |
| 4.26 | IUPAC digitized pKa | 0 » -1 |
| 4.26 | AttenGpKa training set | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.28 | Datawarrior | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.29 | QSARToolbox | 0 » -1 |
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |