Molecule ID: mol20084

SMILES: CN1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]2C1

InChI: InChI=1S/C16H24N2O2S/c1-18-11-10-13-6-5-9-16(15(13)12-18)17-21(19,20)14-7-3-2-4-8-14/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3/t13-,15-,16-/m1/s1

Experimental Macro pKa Values

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