Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RZ9Z4PD9LY
EPA CompTox DTXSID401030864

Structure

InChI Key JNAYPRPPXRWGQO-UHFFFAOYSA-N
Smiles N#CC(Cl)C
InChI
InChI=1/C3H4ClN/c1-3(4)2-5/h3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4ClN
Molecular Weight 89.0
AlogP 1.14
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 1617-17-0
NORMAN SUSDAT
FDA SRS RZ9Z4PD9LY
PubChem 519225