Molecule ID: mol32877

SMILES: COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

InChI: InChI=1S/C19H25NO3/c1-18(2,3)14-9-12(8-13(11-20)17(22)23-7)10-15(16(14)21)19(4,5)6/h8-10,21H,1-7H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.45 OCHEM 0 » -1
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Charge States and Microspecies Visualization