Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SY6ZFX2Q76
EPA CompTox DTXSID7074581

Structure

InChI Key KADOHHPNWMXGNG-UHFFFAOYSA-N
Smiles CC(=O)C1(Cl)CC1
InChI
InChI=1S/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7Cl1O1
Molecular Weight 118.02
AlogP 1.35
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 63141-09-3
NORMAN SUSDAT
FDA SRS SY6ZFX2Q76
PubChem 13214306
ChemSpider 14255929.0