Molecule ID: mol1342

SMILES: CNc1ncc(Br)cn1

InChI: InChI=1S/C5H6BrN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization