Molecule ID: SM19

SMILES: CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1

InChI: InChI=1S/C17H14Cl2N2O2S/c1-2-23-11-4-6-14-15(9-11)24-17(20-14)21-16(22)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.56 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization