Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80233233

Structure

InChI Key MHOWPSNCMPUDPO-UHFFFAOYSA-N
Smiles Cc1c(Br)c(Br)c(Br)c(Cl)c1O
InChI
InChI=1S/C7H4Br3ClO/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Br3Cl1O1
Molecular Weight 375.75
AlogP 4.64
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84282-19-9
NORMAN SUSDAT
PubChem 3019825
ChemSpider 2286902.0