Molecule ID: mol18302
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(F)cccc12
InChI: InChI=1S/C21H18FN3O3S/c1-28-19-12-13(25-29(2,26)27)10-11-18(19)24-20-14-6-3-4-9-17(14)23-21-15(20)7-5-8-16(21)22/h3-12,25H,1-2H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.33 | OCHEM | 1 » 0 |
| 6.33 | Baltruschat ChEMBL | 1 » 0 |
| 6.33 | Baltruschat ChEMBL | 1 » 0 |