Molecule ID: mol14252
SMILES: Cc1ccccc1[N+](C)(C)O
InChI: InChI=1S/C9H14NO/c1-8-6-4-5-7-9(8)10(2,3)11/h4-7,11H,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | AttenGpKa training set | 1 » 0 |
| 4.78 | Datawarrior | 1 » 0 |
| 4.78 | OCHEM | 1 » 0 |