Molecule ID: mol9391

SMILES: CCn1ncc(=O)[nH]c1=O

InChI: InChI=1S/C5H7N3O2/c1-2-8-5(10)7-4(9)3-6-8/h3H,2H2,1H3,(H,7,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.07 IUPAC digitized pKa 0 » -1
7.07 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization