Molecule ID: mol12653
SMILES: COc1ccc(N(C)CO)cc1
InChI: InChI=1S/C9H13NO2/c1-10(7-11)8-3-5-9(12-2)6-4-8/h3-6,11H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | Datawarrior | 1 » 0 |
| 4.59 | AttenGpKa training set | 1 » 0 |
| 4.59 | QSARToolbox | 1 » 0 |
| 4.59 | OCHEM | 1 » 0 |