Molecule ID: mol2551
SMILES: O=Cc1ccc(O)cc1
InChI: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.35 | IUPAC digitized pKa | 0 » -1 |
| 7.38 | IUPAC digitized pKa | 0 » -1 |
| 7.45 | IUPAC digitized pKa | 0 » -1 |
| 7.47 | IUPAC digitized pKa | 0 » -1 |
| 7.53 | Datawarrior | 0 » -1 |
| 7.53 | OCHEM | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 7.60 | Baltruschat ChEMBL | 0 » -1 |
| 7.61 | IUPAC digitized pKa | 0 » -1 |
| 7.61 | IUPAC digitized pKa | 0 » -1 |
| 7.61 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | OCHEM | 0 » -1 |
| 7.61 | QSARToolbox | 0 » -1 |
| 7.61 | QSARToolbox | 0 » -1 |
| 7.61 | QSARToolbox | 0 » -1 |
| 7.62 | IUPAC digitized pKa | 0 » -1 |
| 7.62 | QSARToolbox | 0 » -1 |
| 7.62 | IUPAC digitized pKa | 0 » -1 |
| 7.62 | OCHEM | 0 » -1 |
| 7.62 | OCHEM | 0 » -1 |
| 7.62 | Hunt | 0 » -1 |
| 7.62 | OCHEM | 0 » -1 |
| 7.62 | AttenGpKa training set | 0 » -1 |
| 7.66 | QSARToolbox | 0 » -1 |
| 7.66 | QSARToolbox | 0 » -1 |
| 7.76 | IUPAC digitized pKa | 0 » -1 |
| 8.29 | QSARToolbox | 0 » -1 |