Molecule ID: mol15554

SMILES: Cc1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1

InChI: InChI=1S/C16H12BrNO/c1-11-2-4-13(5-3-11)16-18-10-15(19-16)12-6-8-14(17)9-7-12/h2-10H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization