Molecule ID: mol19823

SMILES: COC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1

InChI: InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1

Experimental Macro pKa Values

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