Molecule ID: mol16176
SMILES: COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/O)cc2)cc1
InChI: InChI=1S/C25H34N4O4/c1-20(2)27-24(30)19-29(18-22-8-10-23(33-3)11-9-22)25(31)7-5-4-6-14-28-15-12-21(13-16-28)17-26-32/h8-13,15-17,20H,4-7,14,18-19H2,1-3H3,(H,27,30)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |