Molecule ID: mol31955

SMILES: O=S(=O)(CCCOCCc1cc2ccccc2o1)CCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C24H28N2O6S2/c27-20-7-6-17(23-22(20)26-24(28)33-23)8-10-25-11-15-34(29,30)14-3-12-31-13-9-19-16-18-4-1-2-5-21(18)32-19/h1-2,4-7,16,25,27H,3,8-15H2,(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization