Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8260BV7XB1
EPA CompTox DTXSID70164946

Structure

InChI Key GVULSXIBCHPJEH-UHFFFAOYSA-N
Smiles FC1=CC=CC(Cl)=C1CN
InChI
InChI=1/C7H7ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7ClFN
Molecular Weight 159.03
AlogP 1.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15205-15-9
NORMAN SUSDAT
FDA SRS 8260BV7XB1
PubChem 84833