Molecule ID: mol6982

SMILES: CC(=O)Nc1c(N)nc(N)nc1O

InChI: InChI=1S/C6H9N5O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H5,7,8,10,11,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.07 IUPAC digitized pKa 1 » 0
9.87 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization