Molecule ID: mol7986

SMILES: Cn1cnc2cc(Cl)ncc21

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.74 IUPAC digitized pKa 2 » 1
2.74 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization