Molecule ID: euroSAMPL-14

SMILES: Cc1ncnc(O)c1Br

InChI: InChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.41 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization