Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20967565

Structure

InChI Key VUSOJMQVQGKPNN-UHFFFAOYSA-N
Smiles ClC1=CC=CC(Cl)=C1C(O)C
InChI
InChI=1/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl2O
Molecular Weight 190.0
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 53066-19-6
NORMAN SUSDAT
PubChem 103731