Molecule ID: mol22993

SMILES: N#Cc1ccc(C(=O)O)cc1Br

InChI: InChI=1S/C8H4BrNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization