Molecule ID: mol29812

SMILES: O=C(/C=C/c1ccccn1)c1ccc(Br)cc1O

InChI: InChI=1S/C14H10BrNO2/c15-10-4-6-12(14(18)9-10)13(17)7-5-11-3-1-2-8-16-11/h1-9,18H/b7-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization