Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40466065

Structure

InChI Key BABIQLUCYVRCIX-UHFFFAOYSA-N
Smiles CC1Cc2ccc(F)cc2C1=O
InChI
InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9F1O1
Molecular Weight 164.06
AlogP 2.2
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 37794-19-7
NORMAN SUSDAT
PubChem 11446522
ChemSpider 9621376.0