Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80951324

Structure

InChI Key DEDZBEBBIUTZAJ-UHFFFAOYSA-N
Smiles OC1CCC2CC1C2(C)C
InChI
InChI=1/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O
Molecular Weight 140.12
AlogP 1.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28664-08-6
NORMAN SUSDAT
PubChem 99892