Molecule ID: mol7122

SMILES: NC1=NC(=O)CCN1

InChI: InChI=1S/C4H7N3O/c5-4-6-2-1-3(8)7-4/h1-2H2,(H3,5,6,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization