Molecule ID: mol11710

SMILES: CC1(c2ccccc2)C(=O)NC(=O)C1C(N)=O

InChI: InChI=1S/C12H12N2O3/c1-12(7-5-3-2-4-6-7)8(9(13)15)10(16)14-11(12)17/h2-6,8H,1H3,(H2,13,15)(H,14,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization