Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J3PA5WVF73
EPA CompTox DTXSID7042485

Structure

InChI Key ACRXLLXANWELLX-UHFFFAOYSA-N
Smiles OC(Br)(Br)Br
InChI
InChI=1S/CHBr3O/c2-1(3,4)5/h5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H1Br3O1
Molecular Weight 265.76
AlogP 1.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 5405-30-1
NORMAN SUSDAT
FDA SRS J3PA5WVF73