Molecule ID: mol1814
SMILES: Cc1cc(O)cc(C)c1C
InChI: InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.20 | AttenGpKa training set | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.25 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.25 | Hunt | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.38 | OCHEM | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |