Molecule ID: mol17625
SMILES: CC(C)N1[C@@H]2CC(Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)CC[C@H]1C2
InChI: InChI=1S/C24H31N3O3/c1-16(2)27-18-4-5-21(15-19(27)14-18)30-20-6-8-22-17(13-20)3-7-23(25-22)24(28)26-9-11-29-12-10-26/h3,6-8,13,16,18-19,21H,4-5,9-12,14-15H2,1-2H3/t18-,19-,21?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.97 | Baltruschat ChEMBL | 1 » 0 |