Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 007C07V77Z
EPA CompTox DTXSID8041668

Structure

InChI Key QWUWMCYKGHVNAV-UHFFFAOYSA-N
Smiles C(Cc1ccccc1)c2ccccc2
InChI
InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14
Molecular Weight 182.11
AlogP 3.47
Number of Rotational Bond 3.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 103-29-7
NORMAN SUSDAT
FDA SRS 007C07V77Z
PubChem 7647
ChemSpider 7364.0