Molecule ID: mol19409

SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1

InChI: InChI=1S/C24H24N4O5S/c1-3-4-13-34(31,32)27-16-9-12-21(23(14-16)33-2)26-24-18-7-5-6-8-20(18)25-22-15-17(28(29)30)10-11-19(22)24/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization