Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I0ZJ4I1KOV
EPA CompTox DTXSID4061468

Structure

InChI Key QUEBYVKXYIKVSO-UHFFFAOYSA-N
Smiles CCCc1cc(C)ccc1
InChI
InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.95
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1074-43-7
NORMAN SUSDAT
FDA SRS I0ZJ4I1KOV
PubChem 14092
ChemSpider 13472.0