Molecule ID: mol23043
SMILES: C[N+](C)(C)c1cc(C(=O)O)cc([N+](C)(C)C)c1
InChI: InChI=1S/C13H21N2O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3/q+1/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | QSARToolbox | 2 » 1 |
| 2.25 | AttenGpKa training set | 2 » 1 |