Molecule ID: mol5623
SMILES: Cc1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | Baltruschat ChEMBL | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.35 | IUPAC digitized pKa | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | Baltruschat ChEMBL | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | Datawarrior | 0 » -1 |
| 4.37 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | Baltruschat ChEMBL | 0 » -1 |
| 4.37 | IUPAC digitized pKa | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 4.39 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.41 | OCHEM | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | IUPAC digitized pKa | 0 » -1 |