Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10234233

Structure

InChI Key VTSRUHHYVDPFBT-UHFFFAOYSA-N
Smiles O=C(NC1=CC=C(C=C1F)C(=O)C)C
InChI
InChI=1/C10H10FNO2/c1-6(13)8-3-4-10(9(11)5-8)12-7(2)14/h3-5H,1-2H3,(H,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10FNO2
Molecular Weight 195.07
AlogP 2.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.66
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 85117-88-0
NORMAN SUSDAT
PubChem 3020368