Molecule ID: mol13774
SMILES: Cc1cc(O)n(-c2ccccc2)n1
InChI: InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | AttenGpKa training set | 1 » 0 |
| 7.16 | AttenGpKa training set | 0 » -1 |