Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LGT6F64EMP
EPA CompTox DTXSID70191757

Structure

InChI Key FUHGFUBJUUFMSF-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)C(=O)CCCCl
InChI
InChI=1S/C11H13ClO/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13Cl1O1
Molecular Weight 196.07
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 38425-26-2
NORMAN SUSDAT
FDA SRS LGT6F64EMP
PubChem 98745
ChemSpider 89185.0