Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CAH6DWW0R5
EPA CompTox DTXSID50224335

Structure

InChI Key RBIDPZJTXCPESJ-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)c1cccc(C)c1
InChI
InChI=1S/C14H14/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)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 7383-90-6
NORMAN SUSDAT
FDA SRS CAH6DWW0R5
PubChem 23859
ChemSpider 22306.0