Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E11K9944ZP
EPA CompTox DTXSID10177095

Structure

InChI Key KKLSEIIDJBCSRK-UHFFFAOYSA-N
Smiles ClCc1c(C=C)cccc1
InChI
InChI=1S/C9H9Cl/c1-2-8-5-3-4-6-9(8)7-10/h2-6H,1,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9Cl1
Molecular Weight 152.04
AlogP 3.07
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 22570-84-9
NORMAN SUSDAT
FDA SRS E11K9944ZP
PubChem 89757
ChemSpider 81015.0