Molecule ID: mol25417

SMILES: CC(=O)NCc1c(N)nnn1C

InChI: InChI=1S/C6H11N5O/c1-4(12)8-3-5-6(7)9-10-11(5)2/h3,7H2,1-2H3,(H,8,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.19 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization