Molecule ID: mol4369

SMILES: Clc1ccnc2ccc(Br)cc12

InChI: InChI=1S/C9H5BrClN/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization