Molecule ID: mol8015

SMILES: OC1NC=Nc2cnccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization