Molecule ID: mol19392

SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1

InChI: InChI=1S/C24H25N3O4S/c1-4-13-32(28,29)27-16-9-12-21(23(14-16)31-3)26-24-18-7-5-6-8-20(18)25-22-15-17(30-2)10-11-19(22)24/h5-12,14-15,27H,4,13H2,1-3H3,(H,25,26)

Experimental Macro pKa Values

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