Molecule ID: mol8052

SMILES: CC1=Nc2c(O)nc(N)nc2NC1C

InChI: InChI=1S/C8H11N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h4H,1-2H3,(H4,9,11,12,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.16 IUPAC digitized pKa 1 » 0
11.09 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization