Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EU25Y8M35F
EPA CompTox DTXSID80220628

Structure

InChI Key UAWVMPOAIVZWFQ-UHFFFAOYSA-N
Smiles COc1ccccc1CCl
InChI
InChI=1S/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1O1
Molecular Weight 156.03
AlogP 2.43
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 7035-02-1
NORMAN SUSDAT
FDA SRS EU25Y8M35F
PubChem 81495
ChemSpider 73530.0