Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9XM2RB2NH2
EPA CompTox DTXSID40205976

Structure

InChI Key HBTXAKDVIXNVHZ-UHFFFAOYSA-N
Smiles N#CC1=CC(F)=CC=C1Cl
InChI
InChI=1/C7H3ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3ClFN
Molecular Weight 154.99
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 57381-56-3
NORMAN SUSDAT
FDA SRS 9XM2RB2NH2
PubChem 93656