Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L57QY9G73K
EPA CompTox DTXSID00865479

Structure

InChI Key QUBBAXISAHIDNM-UHFFFAOYSA-N
Smiles C=1C=C(C(=C(C1)CC)C)C
InChI
InChI=1/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.87
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 933-98-2
NORMAN SUSDAT
FDA SRS L57QY9G73K
PubChem 13621