Molecule ID: mol31629

SMILES: CO/N=C1\C=C/C(=N/O)C(Br)=C1

InChI: InChI=1S/C7H7BrN2O2/c1-12-10-5-2-3-7(9-11)6(8)4-5/h2-4,11H,1H3/b9-7-,10-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization