Molecule ID: mol31954

SMILES: O=c1[nH]c2c(O)ccc(CCNCCCS(=O)(=O)CCCOCCc3ccccc3)c2s1

InChI: InChI=1S/C23H30N2O5S2/c26-20-9-8-19(22-21(20)25-23(27)31-22)10-13-24-12-4-16-32(28,29)17-5-14-30-15-11-18-6-2-1-3-7-18/h1-3,6-9,24,26H,4-5,10-17H2,(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