Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3S6FMP9C4G
EPA CompTox DTXSID20197486

Structure

InChI Key FLLZCZIHURYEQP-UHFFFAOYSA-N
Smiles ClCCCCc1ccccc1
InChI
InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13Cl1
Molecular Weight 168.07
AlogP 3.25
Number of Rotational Bond 4.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4830-93-7
NORMAN SUSDAT
FDA SRS 3S6FMP9C4G
PubChem 78543
ChemSpider 70904.0