Molecule ID: mol32835

SMILES: CC[C@@H](C)c1cc(C=C(C#N)C#N)cc([C@@H](C)CC)c1O

InChI: InChI=1S/C18H22N2O/c1-5-12(3)16-8-14(7-15(10-19)11-20)9-17(18(16)21)13(4)6-2/h7-9,12-13,21H,5-6H2,1-4H3/t12-,13+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization