Molecule ID: mol10194

SMILES: O=c1[nH]c(=O)c2ncn(CCO)c2[nH]1

InChI: InChI=1S/C7H8N4O3/c12-2-1-11-3-8-4-5(11)9-7(14)10-6(4)13/h3,12H,1-2H2,(H2,9,10,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization