Molecule ID: mol551

SMILES: Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C27H34Cl2N2O3/c1-19-4-2-3-5-21(19)16-26(27(32)33)31-14-8-20(9-15-31)18-30-12-10-22(11-13-30)34-23-6-7-24(28)25(29)17-23/h2-7,17,20,22,26H,8-16,18H2,1H3,(H,32,33)/t26-/m0/s1

Experimental Macro pKa Values

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