Molecule ID: mol23600

SMILES: O=C(O)COc1ccc(NC(=O)CCl)cc1

InChI: InChI=1S/C10H10ClNO4/c11-5-9(13)12-7-1-3-8(4-2-7)16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization