Molecule ID: mol8152

SMILES: CC1=Nc2c(O)nc(O)nc2N(C)C1C

InChI: InChI=1S/C9H12N4O2/c1-4-5(2)13(3)7-6(10-4)8(14)12-9(15)11-7/h5H,1-3H3,(H2,11,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization