Molecule ID: mol15223

SMILES: O=C(NNc1ccc(Br)cc1)c1ccncc1

InChI: InChI=1S/C12H10BrN3O/c13-10-1-3-11(4-2-10)15-16-12(17)9-5-7-14-8-6-9/h1-8,15H,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization