Molecule ID: mol22829
SMILES: C[N+](C)(C)Cc1cccc(C(=O)O)c1
InChI: InChI=1S/C11H15NO2/c1-12(2,3)8-9-5-4-6-10(7-9)11(13)14/h4-7H,8H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | AttenGpKa training set | 1 » 0 |
| 3.77 | QSARToolbox | 1 » 0 |