Molecule ID: mol9968
SMILES: OCc1ccccc1O
InChI: InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.42 | IUPAC digitized pKa | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.53 | IUPAC digitized pKa | 0 » -1 |
| 9.59 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | IUPAC digitized pKa | 0 » -1 |
| 9.71 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | Datawarrior | 0 » -1 |
| 9.92 | QSARToolbox | 0 » -1 |
| 9.92 | QSARToolbox | 0 » -1 |
| 9.92 | OCHEM | 0 » -1 |
| 9.95 | OCHEM | 0 » -1 |
| 9.95 | OCHEM | 0 » -1 |