Molecule ID: mol20930

SMILES: O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1

InChI: InChI=1S/C18H17BrN2O6S/c19-13-4-5-16(15(11-13)18(23)24)20-17(22)12-2-1-3-14(10-12)28(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization