Molecule ID: mol17068

SMILES: Cc1cc(COc2ccc([C@@]3(C)CCN([C@@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1

InChI: InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m0/s1

Experimental Macro pKa Values

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