Molecule ID: mol19413

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

InChI: InChI=1S/C23H22N4O4S/c1-3-32(29,30)27-14-11-12-19(20(13-14)31-2)26-21-15-7-4-5-10-18(15)25-22-16(21)8-6-9-17(22)23(24)28/h4-13,27H,3H2,1-2H3,(H2,24,28)(H,25,26)

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