Molecule ID: mol14642

SMILES: COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1OC

InChI: InChI=1S/C15H24N2O6S/c1-20-12-4-5-13(15(22-3)14(12)21-2)24(18,19)16-6-7-17-8-10-23-11-9-17/h4-5,16H,6-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization