Molecule ID: mol17374

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

InChI: InChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13)

Experimental Macro pKa Values

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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