Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PK6CAL2PHU
EPA CompTox DTXSID50231908

Structure

InChI Key KWHUHTFXMNQHAA-UHFFFAOYSA-N
Smiles O=C1CCCCc2ccccc12
InChI
InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12O1
Molecular Weight 160.09
AlogP 2.6
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 826-73-3
NORMAN SUSDAT
FDA SRS PK6CAL2PHU
PubChem 70003
ChemSpider 63195.0