Molecule ID: mol31956
SMILES: CC(C)(CCCCOCCc1ccc([N+](=O)[O-])cc1)CNCCc1ccc(O)c2nc(O)sc12
InChI: InChI=1S/C25H33N3O5S/c1-25(2,13-3-4-15-33-16-12-18-5-8-20(9-6-18)28(31)32)17-26-14-11-19-7-10-21(29)22-23(19)34-24(30)27-22/h5-10,26,29H,3-4,11-17H2,1-2H3,(H,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |