Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CN524K9DXD
EPA CompTox DTXSID7021524

Structure

InChI Key RENMDAKOXSCIGH-UHFFFAOYSA-N
Smiles ClCC#N
InChI
InChI=1S/C2H2ClN/c3-1-2-4/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl1N1
Molecular Weight 74.99
AlogP 0.75
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 107-14-2
NORMAN SUSDAT
FDA SRS CN524K9DXD
PubChem 7856
ChemSpider 7568.0