Molecule ID: mol21477
SMILES: C#CC(C)C(C)OC[n+]1ccn(C)c1/C=N/O
InChI: InChI=1S/C12H17N3O2/c1-5-10(2)11(3)17-9-15-7-6-14(4)12(15)8-13-16/h1,6-8,10-11H,9H2,2-4H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |