Molecule ID: mol20333

SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)CNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1

InChI: InChI=1S/C24H26ClFN6O6/c1-12-27-8-19(32(37)38)30(12)10-15(33)7-28-13-4-5-29(9-13)22-18(26)6-16-21(20(22)25)31(14-2-3-14)11-17(23(16)34)24(35)36/h6,8,11,13-15,28,33H,2-5,7,9-10H2,1H3,(H,35,36)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization