Molecule ID: mol8592

SMILES: N#CCCN(CCC#N)[C@@H](Cc1ccc(O)cc1)C(=O)O

InChI: InChI=1S/C15H17N3O3/c16-7-1-9-18(10-2-8-17)14(15(20)21)11-12-3-5-13(19)6-4-12/h3-6,14,19H,1-2,9-11H2,(H,20,21)/t14-/m0/s1

Experimental Macro pKa Values

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