Molecule ID: mol20371

SMILES: CCS(=O)(=O)CCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1

InChI: InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)

Experimental Macro pKa Values

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