Molecule ID: mol19428
SMILES: Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CCC(c1ccccc1)C3
InChI: InChI=1S/C24H27N3O2/c1-16-17(2)27-15-22(24(28)26-10-12-29-13-11-26)20-9-8-19(14-21(20)23(27)25-16)18-6-4-3-5-7-18/h3-7,15,19H,8-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | OCHEM | 1 » 0 |
| 7.05 | Baltruschat ChEMBL | 1 » 0 |