Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VXP4NLY3F9
EPA CompTox DTXSID5061790

Structure

InChI Key WJQZZLQMLJPKQH-UHFFFAOYSA-N
Smiles CC1=CC(Cl)=CC(Cl)=C1O
InChI
InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2O1
Molecular Weight 175.98
AlogP 3.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1570-65-6
NORMAN SUSDAT
FDA SRS VXP4NLY3F9
PubChem 15292
ChemSpider 14557.0