Molecule ID: mol7196

SMILES: Cn1ccc(C(C)(C)C)nc1=N

InChI: InChI=1S/C9H15N3/c1-9(2,3)7-5-6-12(4)8(10)11-7/h5-6,10H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization