Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FFJ1QHD154
EPA CompTox DTXSID6052613

Structure

InChI Key OYUNTGBISCIYPW-UHFFFAOYSA-N
Smiles ClC(=C)C#N
InChI
InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl1N1
Molecular Weight 86.99
AlogP 1.26
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 920-37-6
NORMAN SUSDAT
FDA SRS FFJ1QHD154
PubChem 70198
ChemSpider 63383.0