Molecule ID: mol31950

SMILES: O=S(=O)(CCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1ccccc1

InChI: InChI=1S/C21H27N3O5S2/c25-18-7-6-17(20-19(18)24-21(26)30-20)8-10-22-12-15-31(27,28)23-11-14-29-13-9-16-4-2-1-3-5-16/h1-7,22-23,25H,8-15H2,(H,24,26)

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