Molecule ID: mol16433
SMILES: O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCOCC3)cc1C2=O
InChI: InChI=1S/C26H28N4O6/c31-23(15-29-5-9-35-10-6-29)27-17-1-3-19-21(13-17)26(34)20-4-2-18(14-22(20)25(19)33)28-24(32)16-30-7-11-36-12-8-30/h1-4,13-14H,5-12,15-16H2,(H,27,31)(H,28,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Baltruschat ChEMBL | 2 » 1 |