Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 25HOX6T1LU
EPA CompTox DTXSID6052742

Structure

InChI Key KVNYFPKFSJIPBJ-UHFFFAOYSA-N
Smiles CCc1ccccc1CC
InChI
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.81
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 135-01-3
NORMAN SUSDAT
FDA SRS 25HOX6T1LU
PubChem 8657
ChemSpider 8335.0