Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90885707

Structure

InChI Key CVCVVXNCGPBRSF-YWEYNIOJSA-N
Smiles O=CC(=CC1CC2C=CC1C2)C
InChI
InChI=1/C11H14O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h2-4,7,9-11H,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O
Molecular Weight 162.1
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 38284-42-3
NORMAN SUSDAT
PubChem 170024