Molecule ID: mol17360

SMILES: OCCN(CCO)Cc1ccc2sc(B(O)O)cc2c1

InChI: InChI=1S/C13H18BNO4S/c16-5-3-15(4-6-17)9-10-1-2-12-11(7-10)8-13(20-12)14(18)19/h1-2,7-8,16-19H,3-6,9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.39 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization