Molecule ID: mol525

SMILES: CC[C@H](CCNC)Oc1cc(Cl)ccc1C#N

InChI: InChI=1S/C13H17ClN2O/c1-3-12(6-7-16-2)17-13-8-11(14)5-4-10(13)9-15/h4-5,8,12,16H,3,6-7H2,1-2H3/t12-/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