Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 070FTM6DVF
EPA CompTox DTXSID7025005

Structure

InChI Key WDNBURPWRNALGP-UHFFFAOYSA-N
Smiles Oc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O1
Molecular Weight 161.96
AlogP 2.7
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 95-77-2
NORMAN SUSDAT
FDA SRS 070FTM6DVF
PubChem 7258
ChemSpider 6988.0