Molecule ID: mol18486

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1

InChI: InChI=1S/C24H24ClN5O8/c1-3-4-5-20-27-23(25)19(12-21(31)38-2)28(20)13-14-6-8-15(9-7-14)26-24(33)17-10-16(29(34)35)11-18(22(17)32)30(36)37/h6-11,32H,3-5,12-13H2,1-2H3,(H,26,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization