Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8J97443QRZ
EPA CompTox DTXSID8052227

Structure

InChI Key KMRMUZKLFIEVAO-UHFFFAOYSA-N
Smiles CC1(C)C2CC=C(C=O)C1C2
InChI
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 564-94-3
NORMAN SUSDAT
FDA SRS 8J97443QRZ