Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z2Z7M2FTAD
EPA CompTox DTXSID4024800

Structure

InChI Key HORNXRXVQWOLPJ-UHFFFAOYSA-N
Smiles Oc1cccc(Cl)c1
InChI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1O1
Molecular Weight 128.0
AlogP 2.05
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 108-43-0
NORMAN SUSDAT
FDA SRS Z2Z7M2FTAD
PubChem 7933
ChemSpider 13875432.0