Molecule ID: mol20408

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1

InChI: InChI=1S/C28H37N3O6S/c1-3-35-23-15-20(16-24(17-23)36-22-9-13-34-14-10-22)19-31-11-7-21(8-12-31)29-28-30-26-18-25(38(32,33)4-2)5-6-27(26)37-28/h5-6,15-18,21-22H,3-4,7-14,19H2,1-2H3,(H,29,30)

Experimental Macro pKa Values

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