Molecule ID: mol20620

SMILES: O=C(N[C@@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)C(=O)O)c1c(Cl)cccc1Cl

InChI: InChI=1S/C28H29Cl2N3O4/c29-22-8-4-9-23(30)26(22)27(34)33-24(28(35)36)17-18-11-13-21(14-12-18)37-16-15-20-7-3-10-25(32-20)31-19-5-1-2-6-19/h3-4,7-14,19,24H,1-2,5-6,15-17H2,(H,31,32)(H,33,34)(H,35,36)/t24-/m0/s1

Experimental Macro pKa Values

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