Molecule ID: mol32159

SMILES: CCc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1

InChI: InChI=1S/C23H23Cl2NO5S/c1-2-15-10-18(30-9-8-16-6-7-17(14-26)21(27)12-16)13-19(11-15)31-32(28,29)22-5-3-4-20(24)23(22)25/h3-7,10-13,27H,2,8-9,14,26H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization