Molecule ID: mol21486
SMILES: CC(C#Cc1ccccc1)COC[n+]1ccn(C)c1/C=N/O
InChI: InChI=1S/C17H19N3O2/c1-15(8-9-16-6-4-3-5-7-16)13-22-14-20-11-10-19(2)17(20)12-18-21/h3-7,10-12,15H,13-14H2,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.99 | Baltruschat ChEMBL | 1 » 0 |