Molecule ID: mol26236

SMILES: OC1=Nc2ncncc2NC1O

InChI: InChI=1S/C6H6N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2,5,9,11H,(H,7,8,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization