Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F7AS459SFD
EPA CompTox DTXSID00177428

Structure

InChI Key ISIQAMHROGZHOV-UHFFFAOYSA-N
Smiles Nc1c(Cl)cncc1Cl
InChI
InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4Cl2N2
Molecular Weight 161.98
AlogP 1.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 39.64
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 22889-78-7
NORMAN SUSDAT
FDA SRS F7AS459SFD
PubChem 89888
ChemSpider 81137.0