Molecule ID: mol23660

SMILES: O=C(O)CN(C(=O)CBr)c1ccccc1

InChI: InChI=1S/C10H10BrNO3/c11-6-9(13)12(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization