Molecule ID: mol21457

SMILES: Cn1cc[n+](COCc2ccc(C(F)(F)F)cc2)c1/C=N/O

InChI: InChI=1S/C14H14F3N3O2/c1-19-6-7-20(13(19)8-18-21)10-22-9-11-2-4-12(5-3-11)14(15,16)17/h2-8H,9-10H2,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.06 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization