Molecule ID: mol4094

SMILES: COc1nccc(N)n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization