Molecule ID: mol2550
SMILES: CCOc1cccc(O)c1
InChI: InChI=1S/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.34 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |
| 9.60 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.65 | OCHEM | 0 » -1 |
| 9.66 | IUPAC digitized pKa | 0 » -1 |
| 9.66 | OCHEM | 0 » -1 |
| 9.66 | Hunt | 0 » -1 |
| 9.66 | AttenGpKa training set | 0 » -1 |
| 9.72 | IUPAC digitized pKa | 0 » -1 |
| 9.79 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.95 | IUPAC digitized pKa | 0 » -1 |