Molecule ID: mol10640
SMILES: Cc1cc(N=O)cc(C)c1O
InChI: InChI=1S/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.56 | IUPAC digitized pKa | 0 » -1 |
| 7.56 | OCHEM | 0 » -1 |
| 7.58 | AttenGpKa training set | 0 » -1 |