Molecule ID: mol32876

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

InChI: InChI=1S/C20H27NO3/c1-8-24-18(23)14(12-21)9-13-10-15(19(2,3)4)17(22)16(11-13)20(5,6)7/h9-11,22H,8H2,1-7H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.51 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization