Molecule ID: mol26230

SMILES: C[n+]1cnc(N)c2ncc(O)nc21

InChI: InChI=1S/C7H7N5O/c1-12-3-10-6(8)5-7(12)11-4(13)2-9-5/h2-3H,1H3,(H2,8,11,13)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization