Molecule ID: mol10431
SMILES: COc1cc(C)ccc1O
InChI: InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.21 | IUPAC digitized pKa | 0 » -1 |
| 10.21 | AttenGpKa training set | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.28 | IUPAC digitized pKa | 0 » -1 |
| 10.28 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |