Molecule ID: mol32154

SMILES: Cc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1

InChI: InChI=1S/C22H21Cl2NO5S/c1-14-8-18(29-7-6-15-2-3-16(13-25)21(26)10-15)12-19(9-14)30-31(27,28)22-11-17(23)4-5-20(22)24/h2-5,8-12,26H,6-7,13,25H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization