Molecule ID: mol2879
SMILES: CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O
InChI: InChI=1S/C14H15F3N4O5S/c1-27(24,25)19-21-12(22)8-6-11(20-2-4-26-5-3-20)9(14(15,16)17)7-10(8)18-13(21)23/h6-7,19H,2-5H2,1H3,(H,18,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | Novartis | -1 » -2 |