Molecule ID: mol19885

SMILES: CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1

InChI: InChI=1S/C19H23N3O2S/c1-2-9-20-11-15(23)13-24-16-7-5-14(6-8-16)19-21-12-17(22-19)18-4-3-10-25-18/h3-8,10,12,15,20,23H,2,9,11,13H2,1H3,(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.79 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization