Molecule ID: mol11064

SMILES: CCn1c(=O)c2[nH]c(=O)[nH]c2n(CC)c1=O

InChI: InChI=1S/C9H12N4O3/c1-3-12-6-5(10-8(15)11-6)7(14)13(4-2)9(12)16/h3-4H2,1-2H3,(H2,10,11,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization