Molecule ID: mol38056

SMILES: COc1ccc(SCC(O)(CSc2ccc(OC)cc2)c2ccccn2)cc1

InChI: InChI=1S/C22H23NO3S2/c1-25-17-6-10-19(11-7-17)27-15-22(24,21-5-3-4-14-23-21)16-28-20-12-8-18(26-2)9-13-20/h3-14,24H,15-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.54 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization