Molecule ID: mol19902

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

InChI: InChI=1S/C20H25N3O3S/c1-2-25-10-9-21-12-16(24)14-26-17-7-5-15(6-8-17)20-22-13-18(23-20)19-4-3-11-27-19/h3-8,11,13,16,21,24H,2,9-10,12,14H2,1H3,(H,22,23)

Experimental Macro pKa Values

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