Molecule ID: mol8013

SMILES: OC1NC=Nc2cccnc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization