Molecule ID: mol2696

SMILES: O=C1CCCC(=O)C1C(=O)c1cc2cccnc2nc1C(F)(F)F

InChI: InChI=1S/C16H11F3N2O3/c17-16(18,19)14-9(7-8-3-2-6-20-15(8)21-14)13(24)12-10(22)4-1-5-11(12)23/h2-3,6-7,12H,1,4-5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization