Molecule ID: mol26929
SMILES: CN(C)C(=O)CC(=O)c1cc[n+](C)cc1
InChI: InChI=1S/C11H15N2O2/c1-12(2)11(15)8-10(14)9-4-6-13(3)7-5-9/h4-7H,8H2,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.91 | QSARToolbox | 2 » 1 |
| 5.91 | AttenGpKa training set | 2 » 1 |