Molecule ID: mol10404
SMILES: COc1cc(C=O)ccc1O
InChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | IUPAC digitized pKa | 0 » -1 |
| 7.27 | IUPAC digitized pKa | 0 » -1 |
| 7.38 | Datawarrior | 0 » -1 |
| 7.38 | AttenGpKa training set | 0 » -1 |
| 7.38 | OCHEM | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | IUPAC digitized pKa | 0 » -1 |
| 7.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.54 | IUPAC digitized pKa | 0 » -1 |
| 7.57 | QSARToolbox | 0 » -1 |
| 7.78 | QSARToolbox | 0 » -1 |