Molecule ID: mol1958

SMILES: CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1

InChI: InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/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