Molecule ID: mol15312

SMILES: COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(OC)c1OC

InChI: InChI=1S/C16H26N2O6S/c1-21-13-5-6-14(16(23-3)15(13)22-2)25(19,20)17-7-4-8-18-9-11-24-12-10-18/h5-6,17H,4,7-12H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization