Molecule ID: mol601

SMILES: C(=C/c1nn[nH]n1)\c1ccccc1

InChI: InChI=1S/C9H8N4/c1-2-4-8(5-3-1)6-7-9-10-12-13-11-9/h1-7H,(H,10,11,12,13)/b7-6+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.50 Hunt 0 » -1
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Charge States and Microspecies Visualization