Molecule ID: mol2692

SMILES: COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O

InChI: InChI=1S/C21H24F3NO6/c1-19(2)16(27)14(17(28)20(3,4)18(19)29)15(26)11-6-7-13(21(22,23)24)25-12(11)10-31-9-8-30-5/h6-7,14H,8-10H2,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization