Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G2W3V2TE7S
EPA CompTox DTXSID9061962

Structure

InChI Key DQXNTSXKIUZJJS-UHFFFAOYSA-N
Smiles Cc1cnc(Cl)nc1Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4Cl2N2
Molecular Weight 161.98
AlogP 2.09
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1780-31-0
NORMAN SUSDAT
FDA SRS G2W3V2TE7S
PubChem 74508
ChemSpider 67089.0