Molecule ID: mol26747

SMILES: C[n+]1c2ccc(Br)cc2cc2c3ccccc3[nH]c21

InChI: InChI=1S/C16H11BrN2/c1-19-15-7-6-11(17)8-10(15)9-13-12-4-2-3-5-14(12)18-16(13)19/h2-9H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization