Molecule ID: mol27224

SMILES: COc1cc(C)c(C(N)=O)c(C)c1

InChI: InChI=1S/C10H13NO2/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3,(H2,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.24 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization