Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80238804

Structure

InChI Key XWKMVRQWLRRRBO-UHFFFAOYSA-N
Smiles Cc1cc2c(CCC2)c(C)c1O
InChI
InChI=1S/C11H14O/c1-7-6-9-4-3-5-10(9)8(2)11(7)12/h6,12H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O1
Molecular Weight 162.1
AlogP 2.5
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 91969-56-1
NORMAN SUSDAT
PubChem 3045302
ChemSpider 2308064.0