Molecule ID: mol21504
SMILES: C#CC1(OC[n+]2ccn(C)c2/C=N/O)CCCC1
InChI: InChI=1S/C13H17N3O2/c1-3-13(6-4-5-7-13)18-11-16-9-8-15(2)12(16)10-14-17/h1,8-10H,4-7,11H2,2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.97 | Baltruschat ChEMBL | 1 » 0 |