Molecule ID: mol19414

SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1

InChI: InChI=1S/C24H24N4O4S/c1-3-13-33(30,31)28-15-11-12-20(21(14-15)32-2)27-22-16-7-4-5-10-19(16)26-23-17(22)8-6-9-18(23)24(25)29/h4-12,14,28H,3,13H2,1-2H3,(H2,25,29)(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization