Molecule ID: mol19335

SMILES: COc1ccc2ccc(S(=O)(=O)N[C@@H](CCCNc3cccnn3)C(=O)N3CCC(C)CC3)cc2c1

InChI: InChI=1S/C26H33N5O4S/c1-19-11-15-31(16-12-19)26(32)24(5-3-13-27-25-6-4-14-28-29-25)30-36(33,34)23-10-8-20-7-9-22(35-2)17-21(20)18-23/h4,6-10,14,17-19,24,30H,3,5,11-13,15-16H2,1-2H3,(H,27,29)/t24-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization