Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V816D1X892
EPA CompTox DTXSID70184169

Structure

InChI Key YNGGRNROMJXLCP-UHFFFAOYSA-N
Smiles O=Cc1cc2c(CCC2)cc1
InChI
InChI=1S/C10H10O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-7H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 1.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 30084-91-4
NORMAN SUSDAT
FDA SRS V816D1X892
PubChem 121624
ChemSpider 108523.0