Molecule ID: mol32015

SMILES: CN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C23H30N2O4S/c1-25(13-10-19-8-9-20(26)21-22(19)30-23(27)24-21)12-5-14-28-16-17-29-15-11-18-6-3-2-4-7-18/h2-4,6-9,26H,5,10-17H2,1H3,(H,24,27)

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