Molecule ID: mol8569

SMILES: CC(C#N)CNC(CC(=O)O)c1ccccc1

InChI: InChI=1S/C13H16N2O2/c1-10(8-14)9-15-12(7-13(16)17)11-5-3-2-4-6-11/h2-6,10,12,15H,7,9H2,1H3,(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.35 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization