Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5ESP23PLR6
EPA CompTox DTXSID80931141

Structure

InChI Key GBAOOJAWDCNOGO-UHFFFAOYSA-N
Smiles ClC1=NN=CC(Cl)=C1Cl
InChI
InChI=1/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4HCl3N2
Molecular Weight 181.92
AlogP 2.44
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14161-11-6
NORMAN SUSDAT
FDA SRS 5ESP23PLR6
PubChem 70111