Molecule ID: mol8238

SMILES: CC(=O)Nc1nc2nc(C)[nH]c2c(=O)n1C

InChI: InChI=1S/C9H11N5O2/c1-4-10-6-7(11-4)13-9(12-5(2)15)14(3)8(6)16/h1-3H3,(H,10,11)(H,12,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization