Molecule ID: mol18806

SMILES: CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C

InChI: InChI=1S/C28H29N3O5S/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23/h5-19,27,30H,4H2,1-3H3,(H,31,32)

Experimental Macro pKa Values

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