Molecule ID: mol18428

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

InChI: InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1

Experimental Macro pKa Values

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