Molecule ID: mol11696
SMILES: Nc1ccc(-c2ccccc2O)cc1
InChI: InChI=1S/C12H11NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | AttenGpKa training set | 1 » 0 |
| 11.40 | OCHEM | 0 » -1 |
| 11.48 | IUPAC digitized pKa | 0 » -1 |