Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VS9GHG22Q3
EPA CompTox DTXSID5066877

Structure

InChI Key ILNGCUVXLQVDTC-UHFFFAOYSA-N
Smiles ClN1CCOCC1
InChI
InChI=1S/C4H8ClNO/c5-6-1-3-7-4-2-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl1N1O1
Molecular Weight 121.03
AlogP 0.47
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.47
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 23328-69-0
NORMAN SUSDAT
FDA SRS VS9GHG22Q3
PubChem 90067
ChemSpider 81307.0