Molecule ID: mol31445

SMILES: O=C(NO)c1cccc(Br)c1

InChI: InChI=1S/C7H6BrNO2/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4,11H,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.43 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization