Molecule ID: mol1813
SMILES: Cc1cc(C)c(O)cc1C
InChI: InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.55 | AttenGpKa training set | 0 » -1 |
| 10.55 | Datawarrior | 0 » -1 |
| 10.55 | OCHEM | 0 » -1 |
| 10.57 | IUPAC digitized pKa | 0 » -1 |
| 10.57 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.57 | Hunt | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.57 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |