Molecule ID: mol18600

SMILES: CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C22H20N4O3S/c1-14(27)23-17-11-12-19-21(13-17)25-20-6-4-3-5-18(20)22(19)24-15-7-9-16(10-8-15)26-30(2,28)29/h3-13,26H,1-2H3,(H,23,27)(H,24,25)

Experimental Macro pKa Values

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