Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YYX3LWG946
EPA CompTox DTXSID50884231

Structure

InChI Key JOUBGGHXBLOLFY-UHFFFAOYSA-N
Smiles CC(c1ccccc1)c1ccc(C)cc1C
InChI
InChI=1S/C16H18/c1-12-9-10-16(13(2)11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18
Molecular Weight 210.14
AlogP 4.46
Number of Rotational Bond 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 6165-52-2
NORMAN SUSDAT
FDA SRS YYX3LWG946
PubChem 93022
ChemSpider 83975.0