Molecule ID: mol4077

SMILES: Cn1ccc(N)nc1=O

InChI: InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.48 IUPAC digitized pKa 1 » 0
4.52 Datawarrior 1 » 0
4.52 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization