Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5J314QOJ2V
EPA CompTox DTXSID30210195

Structure

InChI Key RZTDESRVPFKCBH-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)c1ccc(C)cc1
InChI
InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14
Molecular Weight 182.11
AlogP 3.97
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 613-33-2
NORMAN SUSDAT
FDA SRS 5J314QOJ2V
PubChem 11941
ChemSpider 11447.0