Molecule ID: mol32678

SMILES: O=C1CC2OCC(S(=O)(=O)O)=C3CN4CCC56c7ccccc7N1C5C2C3CC46

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization