Molecule ID: mol3532
SMILES: Nc1ccc2ccc(O)cc2c1
InChI: InChI=1S/C10H9NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | AttenGpKa training set | 1 » 0 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 9.60 | AttenGpKa training set | 0 » -1 |