Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 697I61NSA0
EPA CompTox DTXSID4021551

Structure

InChI Key QPJDMGCKMHUXFD-UHFFFAOYSA-N
Smiles ClC#N
InChI
InChI=1S/CClN/c2-1-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C1Cl1N1
Molecular Weight 60.97
AlogP 0.71
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 506-77-4
NORMAN SUSDAT
FDA SRS 697I61NSA0
PubChem 10477
ChemSpider 10045.0