Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O0L64V63M9
EPA CompTox DTXSID3021562

Structure

InChI Key STZZWJCGRKXEFF-UHFFFAOYSA-N
Smiles ClC(Cl)C#N
InChI
InChI=1S/C2HCl2N/c3-2(4)1-5/h2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H1Cl2N1
Molecular Weight 108.95
AlogP 1.31
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3018-12-0
NORMAN SUSDAT
FDA SRS O0L64V63M9
PubChem 18177
ChemSpider 21106099.0