Molecule ID: mol6812

SMILES: Cc1n[nH]cc1Br

InChI: InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization