Molecule ID: mol29646

SMILES: COC(=O)c1[nH]c(C)c(CC(F)C(=O)O)c1C

InChI: InChI=1S/C11H14FNO4/c1-5-7(4-8(12)10(14)15)6(2)13-9(5)11(16)17-3/h8,13H,4H2,1-3H3,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.67 AttenGpKa training set 0 » -1
2.67 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization