Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KVK5KVB8HJ
EPA CompTox DTXSID80206947

Structure

InChI Key QHDXPJMOWRLLRV-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(F)C=C1)CCC
InChI
InChI=1/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11FO
Molecular Weight 166.08
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 582-83-2
NORMAN SUSDAT
FDA SRS KVK5KVB8HJ
PubChem 68498