Molecule ID: mol25242

SMILES: COc1nc[nH]n1

InChI: InChI=1S/C3H5N3O/c1-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization