Molecule ID: mol32152

SMILES: CCc1cc(OCCc2ccc(C(=N)N)cc2)cc(OS(=O)(=O)c2ccccc2)c1

InChI: InChI=1S/C23H24N2O4S/c1-2-17-14-20(28-13-12-18-8-10-19(11-9-18)23(24)25)16-21(15-17)29-30(26,27)22-6-4-3-5-7-22/h3-11,14-16H,2,12-13H2,1H3,(H3,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization