Molecule ID: mol4111

SMILES: CNC1N=CC(Br)=CN1C

InChI: InChI=1S/C6H10BrN3/c1-8-6-9-3-5(7)4-10(6)2/h3-4,6,8H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.65 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization