Molecule ID: mol4225

SMILES: Cn1ccc(=N)n(C)c1=O

InChI: InChI=1S/C6H9N3O/c1-8-4-3-5(7)9(2)6(8)10/h3-4,7H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization