Molecule ID: mol32254

SMILES: COC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2

InChI: InChI=1S/C27H25N3O6/c1-14-21(13-19-18-12-17(27(35)36-3)9-10-20(18)29-24(19)31)28-15(2)23(14)25(32)30-22(26(33)34)11-16-7-5-4-6-8-16/h4-10,12-13,22,28H,11H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/b19-13-/t22-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 OCHEM 0 » -1
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Charge States and Microspecies Visualization