Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7Y48B9N6TN
EPA CompTox DTXSID50150024

Structure

InChI Key MMRJLQJSFOSVAM-UHFFFAOYSA-N
Smiles Cc1cc(O)c(C)cc1Cl
InChI
InChI=1S/C8H9ClO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1O1
Molecular Weight 156.03
AlogP 2.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1124-06-7
NORMAN SUSDAT
FDA SRS 7Y48B9N6TN
PubChem 70756
ChemSpider 63921.0