Molecule ID: mol15775
SMILES: COc1cccc(Nc2ccccc2)c1
InChI: InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.37 | Datawarrior | 1 » 0 |
| 0.37 | OCHEM | 1 » 0 |
| 0.40 | AttenGpKa training set | 1 » 0 |