Molecule ID: mol8019

SMILES: OC1NC=Nc2ncccc21

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.56 IUPAC digitized pKa 1 » 0
6.56 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization