Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII Q39V7G8776
EPA CompTox DTXSID7044423

Structure

InChI Key QQVDYSUDFZZPSU-UHFFFAOYSA-M
Smiles [Cl-].C[N+](=CCl)C
InChI
InChI=1S/C3H7ClN/c1-5(2)3-4/h3H,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1N1
Molecular Weight 92.03
AlogP -0.14
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3724-43-4
NORMAN SUSDAT
FDA SRS Q39V7G8776
PubChem 77311
ChemSpider 69730.0