Molecule ID: mol19875

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC

InChI: InChI=1S/C26H28ClN3O4S/c1-32-23-7-5-17(12-24(23)33-2)9-10-28-14-19(31)16-34-22-8-6-18(13-20(22)27)26-29-15-21(30-26)25-4-3-11-35-25/h3-8,11-13,15,19,28,31H,9-10,14,16H2,1-2H3,(H,29,30)

Experimental Macro pKa Values

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