Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HG4B76V6ZP
EPA CompTox DTXSID30199395

Structure

InChI Key JWTZSVLLPKTZJP-UHFFFAOYSA-N
Smiles Clc1cccc(Br)n1
InChI
InChI=1S/C5H3BrClN/c6-4-2-1-3-5(7)8-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Br1Cl1N1
Molecular Weight 190.91
AlogP 2.5
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5140-72-7
NORMAN SUSDAT
FDA SRS HG4B76V6ZP
PubChem 78820
ChemSpider 71156.0