Molecule ID: mol6652

SMILES: Brc1ccc(-n2ccnc2)cc1

InChI: InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization