Molecule ID: mol32153

SMILES: COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(=N)N)c(O)c2)c1

InChI: InChI=1S/C23H24N2O6S/c1-15-6-9-21(29-2)22(12-15)32(27,28)31-18-5-3-4-17(14-18)30-11-10-16-7-8-19(23(24)25)20(26)13-16/h3-9,12-14,26H,10-11H2,1-2H3,(H3,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization