Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RWI9UI6QBX
EPA CompTox DTXSID8073396

Structure

InChI Key NCWGPYPDPWOJKC-UHFFFAOYSA-N
Smiles ClC(Cl)(C#N)C#N
InChI
InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl2N2
Molecular Weight 133.94
AlogP 1.21
Hydrogen Bond Acceptor 2.0
Polar Surface Area 47.58
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13063-43-9
NORMAN SUSDAT
FDA SRS RWI9UI6QBX
PubChem 25660
ChemSpider 23902.0