Molecule ID: mol18128

SMILES: COc1cc(C)c(-c2ncc[nH]2)cc1-c1ccc(C#CCO)s1

InChI: InChI=1S/C18H16N2O2S/c1-12-10-16(22-2)15(11-14(12)18-19-7-8-20-18)17-6-5-13(23-17)4-3-9-21/h5-8,10-11,21H,9H2,1-2H3,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization