Molecule ID: mol7177

SMILES: COc1ncc(-c2ccc(Br)cc2)cn1

InChI: InChI=1S/C11H9BrN2O/c1-15-11-13-6-9(7-14-11)8-2-4-10(12)5-3-8/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.61 OCHEM 1 » 0
0.61 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization