Molecule ID: mol7161

SMILES: CCNc1ncc(Br)cn1

InChI: InChI=1S/C6H8BrN3/c1-2-8-6-9-3-5(7)4-10-6/h3-4H,2H2,1H3,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization