Molecule ID: mol12823
SMILES: Nc1cc2ccccc2cc1O
InChI: InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | AttenGpKa training set | 1 » 0 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 9.35 | Datawarrior | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |