Molecule ID: mol543

SMILES: Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1

InChI: InChI=1S/C21H32N4O3S/c1-13(2)25-19(24-29(27,28)17-11-9-14(3)10-12-17)18(15(4)23-25)20(26)22-16(5)21(6,7)8/h9-13,16,24H,1-8H3,(H,22,26)/t16-/m0/s1

Experimental Macro pKa Values

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