Molecule ID: mol2623

SMILES: NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1

InChI: InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.92 Manchester 1 » 0
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Charge States and Microspecies Visualization