Molecule ID: mol16966

SMILES: CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H]2CCCN2)c1

InChI: InChI=1S/C27H37N3O3/c1-3-16-30(17-4-2)27(33)22-13-8-12-21(19-22)26(32)29-24(18-20-10-6-5-7-11-20)25(31)23-14-9-15-28-23/h5-8,10-13,19,23-25,28,31H,3-4,9,14-18H2,1-2H3,(H,29,32)/t23-,24+,25-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.60 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization