Molecule ID: mol20336

SMILES: Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(O)CNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1

InChI: InChI=1S/C28H33ClFN7O7/c1-15-32-26(33-6-8-44-9-7-33)27(37(42)43)35(15)13-18(38)11-31-16-4-5-34(12-16)24-21(30)10-19-23(22(24)29)36(17-2-3-17)14-20(25(19)39)28(40)41/h10,14,16-18,31,38H,2-9,11-13H2,1H3,(H,40,41)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.57 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization