Molecule ID: mol18886
SMILES: O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOC1)NCC3
InChI: InChI=1S/C20H18FNO4S/c21-13-2-1-3-14(10-13)27(23,24)15-4-5-16-17-6-8-22-20(7-9-25-12-20)19(17)26-18(16)11-15/h1-5,10-11,22H,6-9,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 1 » 0 |