Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TMR02I7N8S
EPA CompTox DTXSID50870851

Structure

InChI Key UMKXSOXZAXIOPJ-UHFFFAOYSA-N
Smiles Oc1ccc2CCCCc2c1
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.27
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 1125-78-6
NORMAN SUSDAT
FDA SRS TMR02I7N8S
PubChem 14305
ChemSpider 13667.0