Molecule ID: mol7538

SMILES: CNc1ncnc(NC)c1NC

InChI: InChI=1S/C7H13N5/c1-8-5-6(9-2)11-4-12-7(5)10-3/h4,8H,1-3H3,(H2,9,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization