Molecule ID: mol32155

SMILES: CCc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1

InChI: InChI=1S/C25H29NO5S/c1-4-19-14-22(30-12-11-20-6-8-21(17-26)9-7-20)16-23(15-19)31-32(27,28)25-13-18(2)5-10-24(25)29-3/h5-10,13-16H,4,11-12,17,26H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization