Molecule ID: mol20332

SMILES: Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

InChI: InChI=1S/C28H34FN7O7/c1-17-30-26(33-8-10-43-11-9-33)27(36(41)42)34(17)15-19(37)14-31-4-6-32(7-5-31)24-13-23-20(12-22(24)29)25(38)21(28(39)40)16-35(23)18-2-3-18/h12-13,16,18-19,37H,2-11,14-15H2,1H3,(H,39,40)

Experimental Macro pKa Values

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