Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V283WU3KN8
EPA CompTox DTXSID6060761

Structure

InChI Key VQUYNUJARXBNPK-UHFFFAOYSA-N
Smiles ClCCOc1ccccc1
InChI
InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1O1
Molecular Weight 156.03
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 622-86-6
NORMAN SUSDAT
FDA SRS V283WU3KN8
PubChem 12156
ChemSpider 11655.0