Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6VB933K8M5
EPA CompTox DTXSID00188170

Structure

InChI Key LLRQVSZVVAKRJA-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=CC2=C(Cl)C=CN=C2C1
InChI
InChI=1/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H5ClF3N
Molecular Weight 231.01
AlogP 3.91
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 346-55-4
NORMAN SUSDAT
FDA SRS 6VB933K8M5
PubChem 67668