Molecule ID: mol7054

SMILES: C#CCc1c(C)nc(N)nc1C

InChI: InChI=1S/C9H11N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h1H,5H2,2-3H3,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization