Molecule ID: mol36591

SMILES: NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1

InChI: InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.80 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization