Molecule ID: mol16964

SMILES: CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c1

InChI: InChI=1S/C27H37N3O3/c1-3-15-30(16-4-2)27(33)22-12-8-11-21(18-22)26(32)29-24(17-20-9-6-5-7-10-20)25(31)19-28-23-13-14-23/h5-12,18,23-25,28,31H,3-4,13-17,19H2,1-2H3,(H,29,32)/t24-,25+/m0/s1

Experimental Macro pKa Values

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