EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	AC6W3L17DX
EPA CompTox	DTXSID3064801

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

AC6W3L17DX

EPA CompTox

DTXSID3064801


InChI Key	WYQQGYULUDOPRU-UHFFFAOYSA-M
Smiles	[K+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI	InChI=1/C6HCl5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1

InChI Key

WYQQGYULUDOPRU-UHFFFAOYSA-M

Smiles

[K+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

InChI

InChI=1/C6HCl5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1

Property Name	Value
Molecular Formula	C6Cl5KO
Molecular Weight	301.8
AlogP	1.03
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.06
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6Cl5KO

Molecular Weight

301.8

AlogP

1.03

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.06

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	7778-73-6
NORMAN SUSDAT
FDA SRS	AC6W3L17DX

Resources

Reference

CAS NUMBER

7778-73-6

NORMAN SUSDAT

FDA SRS

AC6W3L17DX

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

POTASSIUM PENTACHLOROPHENOLATE

Structure

Physicochemical Descriptors

Cross References