Molecule ID: mol16442
SMILES: O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O
InChI: InChI=1S/C34H44N4O6/c39-19-13-25-5-1-3-15-37(25)17-11-31(41)35-23-7-9-27-29(21-23)33(43)28-10-8-24(22-30(28)34(27)44)36-32(42)12-18-38-16-4-2-6-26(38)14-20-40/h7-10,21-22,25-26,39-40H,1-6,11-20H2,(H,35,41)(H,36,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Baltruschat ChEMBL | 2 » 1 |