Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OF6E0410NF
EPA CompTox DTXSID8027167

Structure

InChI Key DNXXUUPUQXSUFH-UHFFFAOYSA-N
Smiles CC(C)(CCl)c1ccccc1
InChI
InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13Cl1
Molecular Weight 168.07
AlogP 3.2
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 515-40-2
NORMAN SUSDAT
FDA SRS OF6E0410NF
PubChem 68191
ChemSpider 61498.0