Molecule ID: mol533

SMILES: Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)CN

InChI: InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m1/s1

Experimental Macro pKa Values

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