Molecule ID: mol27222

SMILES: COC(=O)NC(=O)c1ccccc1

InChI: InChI=1S/C9H9NO3/c1-13-9(12)10-8(11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization