Molecule ID: mol19697
SMILES: COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccccc2)c1OC
InChI: InChI=1S/C27H33N5O4/c1-34-22-18-21-25(24(26(22)35-2)19-7-4-3-5-8-19)20(28)17-23(29-21)30-9-6-10-31(12-11-30)27(33)32-13-15-36-16-14-32/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H2,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |