Molecule ID: mol9715

SMILES: N#CCNc1c(N)nc[nH]c1=O

InChI: InChI=1S/C6H7N5O/c7-1-2-9-4-5(8)10-3-11-6(4)12/h3,9H,2H2,(H3,8,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization