Molecule ID: mol14842

SMILES: Brc1ccc(-c2ncc(-c3ccccc3)o2)cc1

InChI: InChI=1S/C15H10BrNO/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization