Molecule ID: mol20326

SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CC(O)Cn4c(C)nc(N5CCCC5)c4[N+](=O)[O-])CC3)cc21

InChI: InChI=1S/C27H34FN7O6/c1-3-31-16-20(27(38)39)24(37)19-12-21(28)23(13-22(19)31)32-10-8-30(9-11-32)14-18(36)15-34-17(2)29-25(26(34)35(40)41)33-6-4-5-7-33/h12-13,16,18,36H,3-11,14-15H2,1-2H3,(H,38,39)

Experimental Macro pKa Values

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