Molecule ID: mol14790

SMILES: CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21

InChI: InChI=1S/C19H19FN4O3S/c1-11(2)28(26,27)24-17-9-13(6-7-16(17)23-19(24)22)15(10-18(21)25)12-4-3-5-14(20)8-12/h3-11H,1-2H3,(H2,21,25)(H2,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.41 Datawarrior 1 » 0
3.41 QSARToolbox 1 » 0
3.41 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization