Molecule ID: mol18431

SMILES: C=CCN(Cc1nccs1)C(=O)[C@@]1(c2cccs2)C[C@H]1CN

InChI: InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1

Experimental Macro pKa Values

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