Molecule ID: mol20933

SMILES: COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)O)c1

InChI: InChI=1S/C19H20N2O7S/c1-27-14-5-6-17(16(12-14)19(23)24)20-18(22)13-3-2-4-15(11-13)29(25,26)21-7-9-28-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization