EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7XWU93C7YN
EPA CompTox	DTXSID80227950

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7XWU93C7YN

EPA CompTox

DTXSID80227950


InChI Key	CCZMQYGSXWZFKI-UHFFFAOYSA-N
Smiles	Clc1ccc(OP(=O)(Cl)Cl)cc1
InChI	InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

InChI Key

CCZMQYGSXWZFKI-UHFFFAOYSA-N

Smiles

Clc1ccc(OP(=O)(Cl)Cl)cc1

InChI

InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

Property Name	Value
Molecular Formula	C6H4Cl3O2P1
Molecular Weight	243.9
AlogP	4.3
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H4Cl3O2P1

Molecular Weight

243.9

AlogP

4.3

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	772-79-2
NORMAN SUSDAT
FDA SRS	7XWU93C7YN
PubChem	69879
ChemSpider	63074.0

Resources

Reference

CAS NUMBER

772-79-2

NORMAN SUSDAT

FDA SRS

7XWU93C7YN

PubChem

69879

ChemSpider

63074.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

P-CHLOROPHENYL DICHLOROPHOSPHATE

Structure

Physicochemical Descriptors

Cross References