Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HPU8B5UQ4C
EPA CompTox DTXSID9021556

Structure

InChI Key RARYQRXQKOVEPM-UHFFFAOYSA-N
Smiles ClC(Br)(Br)C#N
InChI
InChI=1S/C2Br2ClN/c3-2(4,5)1-6

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Br2Cl1N1
Molecular Weight 230.81
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 144772-39-4
NORMAN SUSDAT
FDA SRS HPU8B5UQ4C