Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QP3AC43VX3
EPA CompTox DTXSID3066550

Structure

InChI Key ABJGYUSFOIMJPT-UHFFFAOYSA-N
Smiles CC(C)c1c(CCl)cccc1
InChI
InChI=1S/C10H13Cl/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13Cl1
Molecular Weight 168.07
AlogP 3.55
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 20034-71-3
NORMAN SUSDAT
FDA SRS QP3AC43VX3
PubChem 88340
ChemSpider 79696.0