Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M8Y9R92S94
EPA CompTox DTXSID10988562

Structure

InChI Key AAGFTZAYXBVFGB-UHFFFAOYSA-N
Smiles ClC(C1=CC=C(C=C1)C)C(C)C
InChI
InChI=1/C11H15Cl/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15Cl
Molecular Weight 182.09
AlogP 3.93
Number of Rotational Bond 2.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 68857-83-0
NORMAN SUSDAT
FDA SRS M8Y9R92S94
PubChem 3017887