Molecule ID: mol4735

SMILES: COc1nc(N)nc2nccnc12

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.44 IUPAC digitized pKa 1 » 0
3.50 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization