Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6397DL8869
EPA CompTox DTXSID0021672

Structure

InChI Key DRUIESSIVFYOMK-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C#N
InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Cl3N1
Molecular Weight 142.91
AlogP 1.88
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 545-06-2
NORMAN SUSDAT
FDA SRS 6397DL8869
PubChem 11011
ChemSpider 13861934.0