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

Structure

InChI Key OSTPLWBGNXWIBG-YFHOEESVSA-N
Smiles N#CC(=CC1=CC=C(F)C=C1)C(=O)OCC
InChI
InChI=1/C12H10FNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10FNO2
Molecular Weight 219.07
AlogP 2.3
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 50.09
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 18861-57-9
NORMAN SUSDAT
PubChem 5337853