Molecule ID: mol10858
SMILES: C=CCc1ccccc1O
InChI: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.23 | AttenGpKa training set | 0 » -1 |
| 10.28 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.29 | IUPAC digitized pKa | 0 » -1 |
| 10.29 | OCHEM | 0 » -1 |