Molecule ID: mol32845

SMILES: CC(C)(C)c1cc(C=C(C#N)C(N)=O)cc(C(C)(C)C)c1O

InChI: InChI=1S/C18H24N2O2/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization