Molecule ID: mol29501

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

InChI: InChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization