Molecule ID: mol31981
SMILES: CC(C)(CCCCOCCc1cccc(N)c1)CNCCc1ccc(O)c2nc(O)sc12
InChI: InChI=1S/C25H35N3O3S/c1-25(2,12-3-4-14-31-15-11-18-6-5-7-20(26)16-18)17-27-13-10-19-8-9-21(29)22-23(19)32-24(30)28-22/h5-9,16,27,29H,3-4,10-15,17,26H2,1-2H3,(H,28,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |