Molecule ID: mol15765
SMILES: COc1ccc(Nc2ccccc2)cc1
InChI: InChI=1S/C13H13NO/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.38 | Datawarrior | 1 » 0 |
| 1.38 | OCHEM | 1 » 0 |
| 1.40 | AttenGpKa training set | 1 » 0 |