Molecule ID: mol6721

SMILES: Brc1cc(-c2ccccc2)on1

InChI: InChI=1S/C9H6BrNO/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-6.68 IUPAC digitized pKa 1 » 0
-6.68 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization