Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7J4759Y5J1
EPA CompTox DTXSID8046581

Structure

InChI Key TZBDEVBNMSLVKT-UHFFFAOYSA-N
Smiles OC12CC3CC(C1)C(=O)C(C3)C2
InChI
InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O2
Molecular Weight 166.1
AlogP 1.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 20098-14-0
NORMAN SUSDAT
FDA SRS 7J4759Y5J1