Molecule ID: mol14251
SMILES: Cc1ccc([N+](C)(C)O)cc1
InChI: InChI=1S/C9H14NO/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | AttenGpKa training set | 1 » 0 |
| 4.32 | Datawarrior | 1 » 0 |
| 4.32 | OCHEM | 1 » 0 |