Molecule ID: mol19892

SMILES: CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1

InChI: InChI=1S/C21H27N3O2S/c1-21(2,3)23-12-16(25)14-26-17-8-6-15(7-9-17)11-20-22-13-18(24-20)19-5-4-10-27-19/h4-10,13,16,23,25H,11-12,14H2,1-3H3,(H,22,24)

Experimental Macro pKa Values

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