Molecule ID: mol18432

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

InChI: InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization