Molecule ID: mol16327
SMILES: CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChI: InChI=1S/C31H43N3O3/c1-4-34(30(35)22-24-13-15-28(37-3)16-14-24)27-17-19-33(20-18-27)23(2)21-29(25-9-6-5-7-10-25)32-31(36)26-11-8-12-26/h5-7,9-10,13-16,23,26-27,29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t23?,29-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 1 » 0 |