Molecule ID: mol12686
SMILES: CC[N+](O)(CC)c1ccccc1
InChI: InChI=1S/C10H16NO/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | AttenGpKa training set | 1 » 0 |
| 4.53 | Datawarrior | 1 » 0 |
| 4.53 | OCHEM | 1 » 0 |