Molecule ID: mol7975

SMILES: Cn1cnc2cnc(Cl)cc21

InChI: InChI=1S/C7H6ClN3/c1-11-4-10-5-3-9-7(8)2-6(5)11/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.50 IUPAC digitized pKa 2 » 1
2.46 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization