Molecule ID: mol32677

SMILES: O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3(S(=O)(=O)O)CC46

InChI: InChI=1S/C21H22N2O5S/c24-17-9-15-18-19-20(13-3-1-2-4-14(13)23(17)19)6-7-22-11-12(5-8-28-15)21(18,10-16(20)22)29(25,26)27/h1-5,15-16,18-19H,6-11H2,(H,25,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization