Molecule ID: mol20329

SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

InChI: InChI=1S/C24H27FN6O6/c1-14-26-10-22(31(36)37)29(14)12-16(32)11-27-4-6-28(7-5-27)21-9-20-17(8-19(21)25)23(33)18(24(34)35)13-30(20)15-2-3-15/h8-10,13,15-16,32H,2-7,11-12H2,1H3,(H,34,35)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.68 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization