Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FKS4AY3P83
EPA CompTox DTXSID0062133

Structure

InChI Key HILAULICMJUOLK-UHFFFAOYSA-N
Smiles CCc1cc(CC)cc(C)c1
InChI
InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16
Molecular Weight 148.13
AlogP 3.12
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2050-24-0
NORMAN SUSDAT
FDA SRS FKS4AY3P83
PubChem 16302
ChemSpider 15468.0