Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 88RGV5E5W2
EPA CompTox DTXSID9066966

Structure

InChI Key MXPFNCSRRZDGMJ-UHFFFAOYSA-N
Smiles CC(C)c1cccc2cccc(C(C)C)c12
InChI
InChI=1S/C16H20/c1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14/h5-12H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20
Molecular Weight 212.16
AlogP 5.09
Number of Rotational Bond 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 24192-58-3
NORMAN SUSDAT
FDA SRS 88RGV5E5W2
PubChem 90390
ChemSpider 81606.0