Molecule ID: mol20331

SMILES: Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

InChI: InChI=1S/C29H36FN7O6/c1-18-31-27(34-7-3-2-4-8-34)28(37(42)43)35(18)16-20(38)15-32-9-11-33(12-10-32)25-14-24-21(13-23(25)30)26(39)22(29(40)41)17-36(24)19-5-6-19/h13-14,17,19-20,38H,2-12,15-16H2,1H3,(H,40,41)

Experimental Macro pKa Values

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