Molecule ID: mol11875

SMILES: CC1(Cc2ccccc2)C(=O)NC(=O)C1C(N)=O

InChI: InChI=1S/C13H14N2O3/c1-13(7-8-5-3-2-4-6-8)9(10(14)16)11(17)15-12(13)18/h2-6,9H,7H2,1H3,(H2,14,16)(H,15,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization