Molecule ID: mol27196

SMILES: Cc1cccc(C)c1C(N)=O

InChI: InChI=1S/C9H11NO/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.65 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization