Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WTDNWEITCUMXGW-UHFFFAOYSA-N
Smiles N#CC(Cl)CC
InChI
InChI=1/C4H6ClN/c1-2-4(5)3-6/h4H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6ClN
Molecular Weight 103.02
AlogP 1.53
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4158-37-6
NORMAN SUSDAT
PubChem 100204