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

Structure

InChI Key LVGUHATVVHIJET-UHFFFAOYSA-N
Smiles O=C(C=CC=1C=CC=CC1)CC
InChI
InChI=1/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12O
Molecular Weight 160.09
AlogP 2.68
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3152-68-9
NORMAN SUSDAT
PubChem 92949