Molecule ID: mol18033

SMILES: Brc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1

InChI: InChI=1S/C15H9BrN4O/c16-11-4-1-9(2-5-11)15-19-14(20-21-15)10-3-6-12-13(7-10)18-8-17-12/h1-8H,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.25 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization