Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4DXR427FMJ
EPA CompTox DTXSID30870778

Structure

InChI Key JMGRNJZUQCEJDB-UHFFFAOYSA-N
Smiles ClCCCCCCCCCCl
InChI
InChI=1/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18Cl2
Molecular Weight 196.08
AlogP 4.19
Number of Rotational Bond 8.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 821-99-8
NORMAN SUSDAT
FDA SRS 4DXR427FMJ
PubChem 13191