Molecule ID: mol21186

SMILES: CN(C)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1O

InChI: InChI=1S/C13H16N2O5S3/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization