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

Structure

InChI Key GHZPDRVHYHFILK-UHFFFAOYSA-N
Smiles O=C1OC(Cl)C=2C=CC=CC12
InChI
InChI=1/C8H5ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5ClO2
Molecular Weight 168.0
AlogP 2.09
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 6295-21-2
NORMAN SUSDAT
PubChem 95469