Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S9TJ2EH7VC
EPA CompTox DTXSID70885785

Structure

InChI Key JDMWYZSPJDXSOB-UHFFFAOYSA-N
Smiles ClC(C)(C)C1CC=C(C)CC1
InChI
InChI=1/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17Cl
Molecular Weight 172.1
AlogP 3.75
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 39864-10-3
NORMAN SUSDAT
FDA SRS S9TJ2EH7VC
PubChem 162397