Molecule ID: mol16437
SMILES: O=C(CCN1CCCCC1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CO)cc1C2=O
InChI: InChI=1S/C32H40N4O6/c37-19-23-5-1-3-13-35(23)15-11-29(39)33-21-7-9-25-27(17-21)31(41)26-10-8-22(18-28(26)32(25)42)34-30(40)12-16-36-14-4-2-6-24(36)20-38/h7-10,17-18,23-24,37-38H,1-6,11-16,19-20H2,(H,33,39)(H,34,40)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Baltruschat ChEMBL | 2 » 1 |