Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2NX2PQ9HSL
EPA CompTox DTXSID0063602

Structure

InChI Key LSEAAPGIZCDEEH-UHFFFAOYSA-N
Smiles Clc1cncc(Cl)n1
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(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 4774-14-5
NORMAN SUSDAT
FDA SRS 2NX2PQ9HSL
PubChem 78504
ChemSpider 70868.0