Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4CKY5CPC4K
EPA CompTox DTXSID90165071

Structure

InChI Key WJMOWGFGRONZPA-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(F)C=C1)N2CC2
InChI
InChI=1/C9H8FNO/c10-8-3-1-7(2-4-8)9(12)11-5-6-11/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8FNO
Molecular Weight 165.06
AlogP 1.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.08
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 15257-81-5
NORMAN SUSDAT
FDA SRS 4CKY5CPC4K
PubChem 84853