Molecule ID: mol2698

SMILES: COCCOCCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C2CCC(C2)C1=O

InChI: InChI=1S/C20H22F3NO5/c1-28-8-9-29-7-6-14-13(4-5-15(24-14)20(21,22)23)19(27)16-17(25)11-2-3-12(10-11)18(16)26/h4-5,11-12,16H,2-3,6-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.05 Caine 0 » -1
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Charge States and Microspecies Visualization