Molecule ID: mol1586

SMILES: Nc1cccc(Br)n1

InChI: InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.60 QSARToolbox 1 » 0
2.60 IUPAC digitized pKa 1 » 0
2.60 OCHEM 1 » 0
2.60 Hunt 1 » 0
2.60 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization