Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YV96122OCD
EPA CompTox DTXSID9049293

Structure

InChI Key BTTNYQZNBZNDOR-UHFFFAOYSA-N
Smiles Clc1nc(Cl)ncc1
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/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 3934-20-1
NORMAN SUSDAT
FDA SRS YV96122OCD
PubChem 77531
ChemSpider 69938.0