Molecule ID: mol18332

SMILES: COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1

InChI: InChI=1S/C20H18ClN3O2S/c1-26-18-9-16(13-4-2-5-14(21)8-13)23-10-15(18)17-6-3-7-24(17)20(25)19-11-22-12-27-19/h2,4-5,8-12,17H,3,6-7H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.00 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization