EcoDrugPlus


Keyword(s):	Persistent mobile and Toxic Substances ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	75W0WNE5FP
EPA CompTox	DTXSID6022056

Keyword(s):

Persistent mobile and Toxic Substances ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

75W0WNE5FP

EPA CompTox

DTXSID6022056


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


InChI Key	ZPQOPVIELGIULI-UHFFFAOYSA-N
Smiles	Clc1cccc(Cl)c1
InChI	InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

InChI Key

ZPQOPVIELGIULI-UHFFFAOYSA-N

Smiles

Clc1cccc(Cl)c1

InChI

InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

Property Name	Value
Molecular Formula	C6H4Cl2
Molecular Weight	145.97
AlogP	2.99
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	1.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H4Cl2

Molecular Weight

145.97

AlogP

2.99

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

1.0

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	541-73-1
NORMAN SUSDAT
FDA SRS	75W0WNE5FP
PubChem	10943
ChemSpider	13857694.0

Resources

Reference

CAS NUMBER

541-73-1

NORMAN SUSDAT

FDA SRS

75W0WNE5FP

PubChem

10943

ChemSpider

13857694.0


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).

1,3-DICHLOROBENZENE

Structure

Physicochemical Descriptors

Cross References