Molecule ID: mol15738
SMILES: Nc1ccc(Oc2ccc(N)cc2)cc1
InChI: InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | AttenGpKa training set | 1 » 0 |
| 4.75 | AttenGpKa training set | 1 » 0 |
| 5.18 | OCHEM | 1 » 0 |
| 5.18 | Datawarrior | 1 » 0 |