Molecule ID: mol17168

SMILES: CNCc1cn(S(=O)(=O)c2cc(C)ccn2)c(-c2cccnc2F)c1F

InChI: InChI=1S/C17H16F2N4O2S/c1-11-5-7-21-14(8-11)26(24,25)23-10-12(9-20-2)15(18)16(23)13-4-3-6-22-17(13)19/h3-8,10,20H,9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization