Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S8XZ2901RZ
EPA CompTox DTXSID6022472

Structure

InChI Key OCKPCBLVNKHBMX-UHFFFAOYSA-N
Smiles CCCCc1ccccc1
InChI
InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 3.03
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 104-51-8
NORMAN SUSDAT
FDA SRS S8XZ2901RZ
PubChem 7705
ChemSpider 7419.0