Molecule ID: mol31618

SMILES: O=C1C=C/C(=N\O)C=C1Br

InChI: InChI=1S/C6H4BrNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,10H/b8-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization