Molecule ID: mol547

SMILES: O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1

InChI: InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21/h1-8H,9-11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization