Molecule ID: mol7464

SMILES: OCCNc1ccnc(O)n1

InChI: InChI=1S/C6H9N3O2/c10-4-3-7-5-1-2-8-6(11)9-5/h1-2,10H,3-4H2,(H2,7,8,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization