Molecule ID: mol17167

SMILES: CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F

InChI: InChI=1S/C16H14F2N4O2S/c1-19-8-11-10-22(25(23,24)12-4-2-6-20-9-12)15(14(11)17)13-5-3-7-21-16(13)18/h2-7,9-10,19H,8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.54 OCHEM 1 » 0
8.54 OCHEM 1 » 0
8.54 Baltruschat ChEMBL 1 » 0
8.54 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization