Molecule ID: mol457
SMILES: CC(C)c1cccc(O)c1
InChI: InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | Hunt | 0 » -1 |
| 10.16 | IUPAC digitized pKa | 0 » -1 |
| 10.16 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.16 | AttenGpKa training set | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |