Molecule ID: mol16440
SMILES: O=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCOCC3)cc1C2=O
InChI: InChI=1S/C28H32N4O6/c33-25(5-7-31-9-13-37-14-10-31)29-19-1-3-21-23(17-19)28(36)22-4-2-20(18-24(22)27(21)35)30-26(34)6-8-32-11-15-38-16-12-32/h1-4,17-18H,5-16H2,(H,29,33)(H,30,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |