Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2OZ1K9JKQC
EPA CompTox DTXSID7045996

Structure

InChI Key FWKQNCXZGNBPFD-UHFFFAOYSA-N
Smiles CC(C)c1ccc(C)c2ccc(C)c2c1
InChI
InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18
Molecular Weight 198.14
AlogP 4.53
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 489-84-9
NORMAN SUSDAT
FDA SRS 2OZ1K9JKQC
PubChem 3515
ChemSpider 3395.0