Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID501003070

Structure

InChI Key NKRQQCHFLGGBJT-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(OC(F)F)C=C1)CC
InChI
InChI=1/C10H10F2O2/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,10H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10F2O2
Molecular Weight 200.06
AlogP 2.88
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 83022-58-6
NORMAN SUSDAT
PubChem 2368763