Molecule ID: mol18126

SMILES: COc1cc(C)c(C(=O)O)cc1-c1ccc(C#CCO)s1

InChI: InChI=1S/C16H14O4S/c1-10-8-14(20-2)13(9-12(10)16(18)19)15-6-5-11(21-15)4-3-7-17/h5-6,8-9,17H,7H2,1-2H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization