Molecule ID: mol5998

SMILES: CN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C13H11BrN2O2/c1-15(11-4-2-10(14)3-5-11)12-6-8-13(9-7-12)16(17)18/h2-9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.21 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization