Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U890TJ10YM
EPA CompTox DTXSID6060840

Structure

InChI Key XTIGGAHUZJWQMD-UHFFFAOYSA-N
Smiles COCCCl
InChI
InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1O1
Molecular Weight 94.02
AlogP 0.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 627-42-9
NORMAN SUSDAT
FDA SRS U890TJ10YM
PubChem 12316
ChemSpider 11812.0