Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 9LSH52S3LQ
EPA CompTox DTXSID2020428

Structure

InChI Key JXTHNDFMNIQAHM-UHFFFAOYSA-M
Smiles [O-]C(=O)C(Cl)Cl
InChI
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C2HCl2O2
Molecular Weight 126.94
AlogP -0.46
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.13
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 79-43-6
NORMAN SUSDAT
FDA SRS 9LSH52S3LQ