Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MEG7ZUL2X0
EPA CompTox DTXSID80239412

Structure

InChI Key KPJKMUJJFXZGAX-UHFFFAOYSA-N
Smiles CC(C)(Cl)c1ccccc1
InChI
InChI=1S/C9H11Cl/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11Cl1
Molecular Weight 154.05
AlogP 3.16
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 934-53-2
NORMAN SUSDAT
FDA SRS MEG7ZUL2X0
PubChem 70281
ChemSpider 63465.0