Molecule ID: mol1325

SMILES: C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCOCC1

InChI: InChI=1S/C21H24N2O/c1-18(23-12-14-24-15-13-23)16-21(17-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18H,12-16H2,1H3/t18-/m1/s1

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