Molecule ID: mol17354

SMILES: O=C(O)CNCc1ccc2sc(B(O)O)cc2c1

InChI: InChI=1S/C11H12BNO4S/c14-11(15)6-13-5-7-1-2-9-8(3-7)4-10(18-9)12(16)17/h1-4,13,16-17H,5-6H2,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization