Molecule ID: mol24873

SMILES: CC[N+](O)(CC)c1ccc(Br)cc1

InChI: InChI=1S/C10H15BrNO/c1-3-12(13,4-2)10-7-5-9(11)6-8-10/h5-8,13H,3-4H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization