Molecule ID: mol18430

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

InChI: InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization