Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TJY3UR6EDV
EPA CompTox DTXSID4059704

Structure

InChI Key GUSWJGOYDXFJSI-UHFFFAOYSA-N
Smiles Clc1nnc(Cl)cc1
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2Cl2N2
Molecular Weight 147.96
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 141-30-0
NORMAN SUSDAT
FDA SRS TJY3UR6EDV
PubChem 67331
ChemSpider 60662.0