Molecule ID: mol2697

SMILES: COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)CCCC1=O

InChI: InChI=1S/C17H18F3NO5/c1-25-7-8-26-9-11-10(5-6-14(21-11)17(18,19)20)16(24)15-12(22)3-2-4-13(15)23/h5-6,15H,2-4,7-9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization