Molecule ID: mol4726

SMILES: Cc1nc2cnc(N)nc2nc1C

InChI: InChI=1S/C8H9N5/c1-4-5(2)12-7-6(11-4)3-10-8(9)13-7/h3H,1-2H3,(H2,9,10,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization