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

Structure

InChI Key JWQYZECMEPOAPF-UHFFFAOYSA-N
Smiles OC1CCc2ccccc2C1
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 530-91-6
NORMAN SUSDAT
PubChem 10747
ChemSpider 10294.0