Molecule ID: mol2878
SMILES: CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCCOCC3)cc2c1=O
InChI: InChI=1S/C15H17F3N4O5S/c1-28(25,26)20-22-13(23)9-7-12(21-3-2-5-27-6-4-21)10(15(16,17)18)8-11(9)19-14(22)24/h7-8,20H,2-6H2,1H3,(H,19,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Novartis | -1 » -2 |