Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7L63CC70UQ
EPA CompTox DTXSID0038754

Structure

InChI Key YSEMCVGMNUUNRK-UHFFFAOYSA-N
Smiles FC1=CC=C(N)C=C1Cl
InChI
InChI=1/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5ClFN
Molecular Weight 145.01
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 367-21-5
NORMAN SUSDAT
FDA SRS 7L63CC70UQ
PubChem 9708