Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key RUIVGYDYVAXAHW-UHFFFAOYSA-N
Smiles FC(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)S(=O)(NCC)=O
InChI
InChI=1S/C7H6F11NO2S/c1-2-19-22(20,21)7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h19H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6F11N1O2S1
Molecular Weight 376.99
AlogP 2.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.17
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 162682-16-8
NORMAN SUSDAT
PubChem 19931110