Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1EZG3N8F3A
EPA CompTox DTXSID40177346

Structure

InChI Key JYQFHKYYTOIWOQ-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)c1ccncc1
InChI
InChI=1S/C6H4Cl3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl3N1
Molecular Weight 194.94
AlogP 2.91
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 22796-40-3
NORMAN SUSDAT
FDA SRS 1EZG3N8F3A
PubChem 89838
ChemSpider 80903.0