Molecule ID: mol8059

SMILES: CC1=Nc2c(O)nc(N)nc2NC1(C)C

InChI: InChI=1S/C9H13N5O/c1-4-9(2,3)14-6-5(11-4)7(15)13-8(10)12-6/h1-3H3,(H4,10,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization