Molecule ID: mol29551

SMILES: Cc1cc(=O)n(C(C)(C)C)c(=O)[nH]1

InChI: InChI=1S/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H,1-4H3,(H,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization