Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FI94T26KGB
EPA CompTox DTXSID6027181

Structure

InChI Key KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Smiles CC(C)Cc1ccccc1
InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14
Molecular Weight 134.11
AlogP 2.89
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 538-93-2
NORMAN SUSDAT
FDA SRS FI94T26KGB
PubChem 10870
ChemSpider 10410.0