Molecule ID: mol17512

SMILES: OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1

InChI: InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5+

Experimental Macro pKa Values

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