Molecule ID: mol552

SMILES: O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C24H28Cl2N2O3/c25-21-7-6-20(16-22(21)26)31-19-10-14-27(15-11-19)18-8-12-28(13-9-18)23(24(29)30)17-4-2-1-3-5-17/h1-7,16,18-19,23H,8-15H2,(H,29,30)/t23-/m0/s1

Experimental Macro pKa Values

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