Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NL6H333KRF
EPA CompTox DTXSID8061345

Structure

InChI Key LETDRANQSOEVCX-UHFFFAOYSA-N
Smiles Cc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl6N3
Molecular Weight 326.85
AlogP 3.83
Hydrogen Bond Acceptor 3.0
Polar Surface Area 38.67
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 949-42-8
NORMAN SUSDAT
FDA SRS NL6H333KRF
PubChem 13703
ChemSpider 13109.0