Molecule ID: mol26245

SMILES: NC(=O)Nc1nccnc1/C=N/O

InChI: InChI=1S/C6H7N5O2/c7-6(12)11-5-4(3-10-13)8-1-2-9-5/h1-3,13H,(H3,7,9,11,12)/b10-3+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization