Molecule ID: mol24993

SMILES: CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(N)=C(C#N)C#N

InChI: InChI=1S/C14H12BrN5O2/c1-2-22-14(21)13(12(18)9(7-16)8-17)20-19-11-5-3-10(15)4-6-11/h3-6,19H,2,18H2,1H3/b20-13-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization