Molecule ID: mol6808

SMILES: CCc1n[nH]cc1Br

InChI: InChI=1S/C5H7BrN2/c1-2-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization