Molecule ID: mol31230
SMILES: CN(C)C(=O)/C=C(\O)c1cc[n+](C)cc1
InChI: InChI=1S/C11H14N2O2/c1-12(2)11(15)8-10(14)9-4-6-13(3)7-5-9/h4-8H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.24 | QSARToolbox | 1 » 0 |
| 5.24 | AttenGpKa training set | 1 » 0 |