Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3P316SLR5B
EPA CompTox DTXSID50951710

Structure

InChI Key FGEAOSXMQZWHIQ-UHFFFAOYSA-N
Smiles O=C(Cl)C(Cl)C=1C=CC=CC1
InChI
InChI=1/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl2O
Molecular Weight 187.98
AlogP 2.73
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2912-62-1
NORMAN SUSDAT
FDA SRS 3P316SLR5B
PubChem 102902