Molecule ID: mol6805

SMILES: Cc1c(Br)cnn1C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization