Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G8PMO13PO4
EPA CompTox DTXSID2075392

Structure

InChI Key BAYGVMXZJBFEMB-UHFFFAOYSA-N
Smiles Oc1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5F3O1
Molecular Weight 162.03
AlogP 2.41
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 402-45-9
NORMAN SUSDAT
FDA SRS G8PMO13PO4
PubChem 67874
ChemSpider 61191.0