Molecule ID: mol31975

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCSCCc1ccccc1

InChI: InChI=1S/C22H29N3O4S3/c26-19-8-7-18(21-20(19)25-22(27)31-21)9-12-23-11-4-16-32(28,29)24-13-15-30-14-10-17-5-2-1-3-6-17/h1-3,5-8,23-24,26H,4,9-16H2,(H,25,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization