Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K46ZZ833BH
EPA CompTox DTXSID0060193

Structure

InChI Key KCKZIWSINLBROE-UHFFFAOYSA-N
Smiles O=C1CCc2c(C1)cccc2
InChI
InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 530-93-8
NORMAN SUSDAT
FDA SRS K46ZZ833BH
PubChem 68266
ChemSpider 61564.0