Molecule ID: mol15449

SMILES: CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cc(F)ccc3F)cc21

InChI: InChI=1S/C19H18F2N4O3S/c1-10(2)29(27,28)25-17-7-11(3-6-16(17)24-19(25)23)13(9-18(22)26)14-8-12(20)4-5-15(14)21/h3-10H,1-2H3,(H2,22,26)(H2,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization