Molecule ID: mol32157

SMILES: COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(=N)N)cc2)c1

InChI: InChI=1S/C22H20Cl2N2O5S/c1-29-21-19(24)11-16(23)12-20(21)32(27,28)31-18-4-2-3-17(13-18)30-10-9-14-5-7-15(8-6-14)22(25)26/h2-8,11-13H,9-10H2,1H3,(H3,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization