Molecule ID: mol13064
SMILES: CN(CO)c1ccccc1
InChI: InChI=1S/C8H11NO/c1-9(7-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | Datawarrior | 1 » 0 |
| 3.72 | OCHEM | 1 » 0 |
| 3.72 | AttenGpKa training set | 1 » 0 |
| 3.72 | QSARToolbox | 1 » 0 |