Molecule ID: mol5405

SMILES: O=C(O)C(O)Cn1ccnc1

InChI: InChI=1S/C6H8N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4-5,9H,3H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization