Molecule ID: mol9972
SMILES: COc1cccc(O)c1
InChI: InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.31 | IUPAC digitized pKa | 0 » -1 |
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.39 | IUPAC digitized pKa | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.51 | Datawarrior | 0 » -1 |
| 9.51 | OCHEM | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |
| 9.59 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | IUPAC digitized pKa | 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 |
| 9.65 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.72 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 10.20 | IUPAC digitized pKa | 0 » -1 |
| 10.35 | QSARToolbox | 0 » -1 |
| 10.35 | QSARToolbox | 0 » -1 |
| 11.05 | QSARToolbox | 0 » -1 |
| 12.24 | QSARToolbox | 0 » -1 |