Molecule ID: mol21335

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(CO)cccc23)cc1

InChI: InChI=1S/C21H19N3O3S/c1-28(26,27)24-16-11-9-15(10-12-16)22-21-17-6-2-3-8-19(17)23-20-14(13-25)5-4-7-18(20)21/h2-12,24-25H,13H2,1H3,(H,22,23)

Experimental Macro pKa Values

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