Molecule ID: mol21493
SMILES: C#CCC(CCC)OC[n+]1ccn(C)c1/C=N/O
InChI: InChI=1S/C13H19N3O2/c1-4-6-12(7-5-2)18-11-16-9-8-15(3)13(16)10-14-17/h1,8-10,12H,5-7,11H2,2-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | Baltruschat ChEMBL | 1 » 0 |