Molecule ID: mol2466
SMILES: Oc1ccccc1O
InChI: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.13 | OCHEM | 0 » -1 |
| 9.13 | Hunt | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.23 | IUPAC digitized pKa | 0 » -1 |
| 9.23 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.26 | QSARToolbox | 0 » -1 |
| 9.27 | QSARToolbox | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | OCHEM | 0 » -1 |
| 9.33 | Datawarrior | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.36 | AttenGpKa training set | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.40 | OCHEM | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | QSARToolbox | 0 » -1 |
| 9.45 | QSARToolbox | 0 » -1 |
| 9.45 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.48 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 10.33 | QSARToolbox | 0 » -1 |
| 11.23 | QSARToolbox | -1 » -2 |
| 11.46 | QSARToolbox | -1 » -2 |
| 11.56 | Datawarrior | -1 » -2 |
| 11.56 | QSARToolbox | -1 » -2 |
| 11.58 | QSARToolbox | -1 » -2 |
| 11.61 | QSARToolbox | -1 » -2 |
| 11.74 | QSARToolbox | -1 » -2 |
| 11.80 | OCHEM | -1 » -2 |
| 11.83 | QSARToolbox | -1 » -2 |
| 12.08 | QSARToolbox | -1 » -2 |
| 12.60 | QSARToolbox | -1 » -2 |
| 12.66 | AttenGpKa training set | -1 » -2 |
| 12.80 | IUPAC digitized pKa | -1 » -2 |
| 12.80 | QSARToolbox | -1 » -2 |
| 12.80 | QSARToolbox | -1 » -2 |
| 13.05 | IUPAC digitized pKa | -1 » -2 |
| 13.43 | QSARToolbox | -1 » -2 |
| 13.70 | IUPAC digitized pKa | -1 » -2 |