Molecule ID: mol24806

SMILES: ONc1cccc(Br)c1

InChI: InChI=1S/C6H6BrNO/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization