Molecule ID: mol6719

SMILES: Cc1noc(C)c1Br

InChI: InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.32 IUPAC digitized pKa 1 » 0
-2.32 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization