Molecule ID: mol21329

SMILES: CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(NC(C)=O)cc3nc2c1

InChI: InChI=1S/C24H23N5O4S/c1-14(30)25-18-8-10-20-22(12-18)28-23-13-19(26-15(2)31)9-11-21(23)24(20)27-16-4-6-17(7-5-16)29-34(3,32)33/h4-13,29H,1-3H3,(H,25,30)(H,26,31)(H,27,28)

Experimental Macro pKa Values

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