Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XP4A3B6GMM
EPA CompTox DTXSID10177631

Structure

InChI Key VLIILLUQCKLPLB-UHFFFAOYSA-N
Smiles CC(=C)Cc1ccc(Cl)cc1
InChI
InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11Cl1
Molecular Weight 166.05
AlogP 3.46
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 23063-65-2
NORMAN SUSDAT
FDA SRS XP4A3B6GMM
PubChem 89985
ChemSpider 81232.0