Molecule ID: mol25053

SMILES: O=CNc1ccncc1

InChI: InChI=1S/C6H6N2O/c9-5-8-6-1-3-7-4-2-6/h1-5H,(H,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.77 AttenGpKa training set 1 » 0
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Charge States and Microspecies Visualization