Molecule ID: mol8063

SMILES: COc1nc(N)nc2c1ncc(=O)n2C

InChI: InChI=1S/C8H9N5O2/c1-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15-2/h3H,1-2H3,(H2,9,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.21 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization