Molecule ID: mol32158

SMILES: Cc1cc(OCCc2ccc(C(=N)N)c(O)c2)cc(OS(=O)(=O)c2cccc(C)c2)c1

InChI: InChI=1S/C23H24N2O5S/c1-15-4-3-5-20(12-15)31(27,28)30-19-11-16(2)10-18(14-19)29-9-8-17-6-7-21(23(24)25)22(26)13-17/h3-7,10-14,26H,8-9H2,1-2H3,(H3,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization