Molecule ID: mol9970
SMILES: OCc1ccc(O)cc1
InChI: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.39 | IUPAC digitized pKa | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.53 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.63 | IUPAC digitized pKa | 0 » -1 |
| 9.68 | IUPAC digitized pKa | 0 » -1 |
| 9.73 | IUPAC digitized pKa | 0 » -1 |
| 9.79 | IUPAC digitized pKa | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | QSARToolbox | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.82 | Datawarrior | 0 » -1 |
| 9.82 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |