Molecule ID: mol3979

SMILES: NC(=O)c1cnccn1

InChI: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.50 OCHEM 1 » 0
-0.50 AttenGpKa training set 1 » 0
0.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization