Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10956786

Structure

InChI Key YVBSAPDHRXHFHV-UHFFFAOYSA-N
Smiles ClC(OC)C=1C=CC=CC1
InChI
InChI=1/C8H9ClO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9ClO
Molecular Weight 156.03
AlogP 2.57
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 35364-99-9
NORMAN SUSDAT
PubChem 11062637