Molecule ID: mol18127

SMILES: COc1cc(C)c(-c2noc(=O)[nH]2)cc1-c1ccc(C#CCO)s1

InChI: InChI=1S/C17H14N2O4S/c1-10-8-14(22-2)13(9-12(10)16-18-17(21)23-19-16)15-6-5-11(24-15)4-3-7-20/h5-6,8-9,20H,7H2,1-2H3,(H,18,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization