Molecule ID: mol6671

SMILES: O=Cc1c[nH]cn1

InChI: InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization