Molecule ID: mol36924

SMILES: O=C1C[N+](CCO)=C(c2ccccc2F)c2cc(Br)ccc2N1

InChI: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-22)10-16(23)20-15/h1-6,9,22H,7-8,10H2/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.94 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization