Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QO6BZZ3FGR
EPA CompTox DTXSID0060484

Structure

InChI Key CRNIHJHMEQZAAS-UHFFFAOYSA-N
Smiles CCC(C)(C)Cl
InChI
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Cl1
Molecular Weight 106.05
AlogP 2.41
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 594-36-5
NORMAN SUSDAT
FDA SRS QO6BZZ3FGR
PubChem 61143
ChemSpider 55090.0