Molecule ID: mol2018
SMILES: C[N+](C)(C)c1cccc(CC(=O)O)c1
InChI: InChI=1S/C11H15NO2/c1-12(2,3)10-6-4-5-9(7-10)8-11(13)14/h4-7H,8H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | Hunt | 1 » 0 |
| 3.66 | AttenGpKa training set | 1 » 0 |