Molecule ID: mol21495

SMILES: Cn1cc[n+](COCCc2ccccc2C(F)(F)F)c1/C=N/O

InChI: InChI=1S/C15H16F3N3O2/c1-20-7-8-21(14(20)10-19-22)11-23-9-6-12-4-2-3-5-13(12)15(16,17)18/h2-5,7-8,10H,6,9,11H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization