Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PDP3G8TT48
EPA CompTox DTXSID70184129

Structure

InChI Key ZFDILXLUXPRASO-UHFFFAOYSA-N
Smiles Nc1cc(Cl)c(Cl)c(Cl)c1N
InChI
InChI=1S/C6H5Cl3N2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl3N2
Molecular Weight 209.95
AlogP 2.81
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.04
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 30064-28-9
NORMAN SUSDAT
FDA SRS PDP3G8TT48
PubChem 100529
ChemSpider 90828.0