Molecule ID: mol1372
SMILES: CCc1cc(C)cc(O)c1
InChI: InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | Datawarrior | 0 » -1 |
| 10.10 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | Hunt | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | AttenGpKa training set | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |