Molecule ID: mol10884
SMILES: CCOC(=O)c1ccccc1O
InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.65 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | OCHEM | 0 » -1 |
| 10.07 | AttenGpKa training set | 0 » -1 |
| 10.34 | IUPAC digitized pKa | 0 » -1 |