Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZM2X7I1G8Y
EPA CompTox DTXSID1022003

Structure

InChI Key AFZZYIJIWUTJFO-UHFFFAOYSA-N
Smiles CCc1cccc(CC)c1
InChI
InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.81
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 141-93-5
NORMAN SUSDAT
FDA SRS ZM2X7I1G8Y
PubChem 8864
ChemSpider 8531.0