Molecule ID: mol32090
SMILES: COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCOCC4)c3F)nc2c1
InChI: InChI=1S/C18H19FN4O3S/c1-25-12-2-3-13-14(10-12)22-18(21-13)27(24)11-15-17(19)16(4-5-20-15)23-6-8-26-9-7-23/h2-5,10H,6-9,11H2,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | OCHEM | 1 » 0 |