Molecule ID: mol7429

SMILES: C#CCNc1nc(C)cc(C)n1

InChI: InChI=1S/C9H11N3/c1-4-5-10-9-11-7(2)6-8(3)12-9/h1,6H,5H2,2-3H3,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization