Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00233533

Structure

InChI Key VTGAESTYJTVWSC-UHFFFAOYSA-N
Smiles Cc1cc(C)c(O)c2c1CCC2
InChI
InChI=1S/C11H14O/c1-7-6-8(2)11(12)10-5-3-4-9(7)10/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 84540-52-3
NORMAN SUSDAT
PubChem 3019947
ChemSpider 2286978.0