Molecule ID: SAMPL8-10

SMILES: CS(=O)(=O)c1cccc(-c2ccc(CNCc3c(F)cccc3Cl)cc2)c1.Cl

InChI: InChI=1S/C21H19ClFNO2S.ClH/c1-27(25,26)18-5-2-4-17(12-18)16-10-8-15(9-11-16)13-24-14-19-20(22)6-3-7-21(19)23;/h2-12,24H,13-14H2,1H3;1H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.71 SAMPL8 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization