Molecule ID: mol24454

SMILES: CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1

InChI: InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.06 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization