Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 49PL4DM3QJ
EPA CompTox DTXSID70226073

Structure

InChI Key LPCDKGCUDQLTIX-UHFFFAOYSA-N
Smiles ClCc1c(Cc2ccccc2)cccc1
InChI
InChI=1S/C14H13Cl/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13Cl1
Molecular Weight 216.07
AlogP 4.02
Number of Rotational Bond 3.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 7510-28-3
NORMAN SUSDAT
FDA SRS 49PL4DM3QJ
PubChem 82021
ChemSpider 74025.0