Molecule ID: mol1949
SMILES: CCCc1ccc(O)cc1
InChI: InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.21 | OCHEM | 0 » -1 |
| 10.28 | AttenGpKa training set | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |
| 10.34 | IUPAC digitized pKa | 0 » -1 |
| 10.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.34 | OCHEM | 0 » -1 |
| 10.34 | OCHEM | 0 » -1 |
| 10.34 | Hunt | 0 » -1 |
| 10.34 | OCHEM | 0 » -1 |
| 10.34 | OCHEM | 0 » -1 |