Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3X574MBA3Q
EPA CompTox DTXSID10150025

Structure

InChI Key NDCNJVOXMCCKBP-UHFFFAOYSA-N
Smiles Cc1c(Cl)cc(Cl)c(O)c1
InChI
InChI=1S/C7H6Cl2O/c1-4-2-7(10)6(9)3-5(4)8/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 1124-07-8
NORMAN SUSDAT
FDA SRS 3X574MBA3Q
PubChem 70757
ChemSpider 63922.0