Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z439UH6E5F
EPA CompTox DTXSID70200939

Structure

InChI Key GXGJIOMUZAGVEH-UHFFFAOYSA-N
Smiles CCc1ccc(C)c2ccc(C)c2c1
InChI
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16
Molecular Weight 184.13
AlogP 3.97
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 529-05-5
NORMAN SUSDAT
FDA SRS Z439UH6E5F
PubChem 10719
ChemSpider 10268.0