Molecule ID: mol1398
SMILES: Oc1ccc(O)cc1
InChI: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.82 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | Hunt | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.93 | Datawarrior | 0 » -1 |
| 9.93 | OCHEM | 0 » -1 |
| 9.96 | QSARToolbox | 0 » -1 |
| 9.97 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.33 | AttenGpKa training set | -1 » -2 |
| 10.85 | Organic Oxygen Acids and Nitrogen Bases | -1 » -2 |
| 10.90 | QSARToolbox | -1 » -2 |
| 11.39 | IUPAC digitized pKa | -1 » -2 |
| 11.40 | QSARToolbox | -1 » -2 |
| 11.40 | OCHEM | -1 » -2 |
| 11.44 | IUPAC digitized pKa | -1 » -2 |
| 11.48 | AttenGpKa training set | -1 » -2 |
| 11.49 | IUPAC digitized pKa | -1 » -2 |
| 11.56 | IUPAC digitized pKa | -1 » -2 |
| 11.56 | IUPAC digitized pKa | -1 » -2 |
| 11.57 | Datawarrior | -1 » -2 |
| 11.66 | IUPAC digitized pKa | -1 » -2 |