Molecule ID: mol27214

SMILES: Cc1cc(F)cc(C)c1C(N)=O

InChI: InChI=1S/C9H10FNO/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H2,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.78 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization