EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	41799BI61U
EPA CompTox	DTXSID7024031

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

41799BI61U

EPA CompTox

DTXSID7024031


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	KFUSEUYYWQURPO-OWOJBTEDSA-N
Smiles	Cl\C=C\Cl
InChI	InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

InChI Key

KFUSEUYYWQURPO-OWOJBTEDSA-N

Smiles

Cl\C=C\Cl

InChI

InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

Property Name	Value
Molecular Formula	C2H2Cl2
Molecular Weight	95.95
AlogP	1.94
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

C2H2Cl2

Molecular Weight

95.95

AlogP

1.94

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

4.0

Resources	Reference
CAS NUMBER	156-60-5
NORMAN SUSDAT
FDA SRS	41799BI61U
PubChem	553742
ChemSpider	638186.0

Resources

Reference

CAS NUMBER

156-60-5

NORMAN SUSDAT

FDA SRS

41799BI61U

PubChem

553742

ChemSpider

638186.0


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

(E)-1,2-DICHLOROETHYLENE

Structure

Physicochemical Descriptors

Cross References