Molecule ID: mol468
SMILES: CCOc1ccc(O)cc1
InChI: InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.13 | IUPAC digitized pKa | 0 » -1 |
| 10.13 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.13 | OCHEM | 0 » -1 |
| 10.13 | OCHEM | 0 » -1 |
| 10.13 | OCHEM | 0 » -1 |
| 10.13 | OCHEM | 0 » -1 |
| 10.22 | AttenGpKa training set | 0 » -1 |
| 10.23 | Datawarrior | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | Hunt | 0 » -1 |