Molecule ID: mol4690

SMILES: OC1=Nc2cccnc2NC1

InChI: InChI=1S/C7H7N3O/c11-6-4-9-7-5(10-6)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization