Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20861918

Structure

InChI Key VIIAUOZUUGXERI-ZETCQYMHSA-N
Smiles O=C(O)C(N)CC1=CC=C(O)C(F)=C1
InChI
InChI=1/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10FNO3
Molecular Weight 199.06
AlogP 0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.55
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 403-90-7
NORMAN SUSDAT