Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10887506

Structure

InChI Key LLLRKSFANNQEDZ-UHFFFAOYSA-N
Smiles OC1CC2=CC=C(C=C2CC1)C(C)(C)C
InChI
InChI=1/C14H20O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h4,6,8,13,15H,5,7,9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20O
Molecular Weight 204.15
AlogP 2.83
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68797-71-7
NORMAN SUSDAT
PubChem 111370