EcoDrugPlus


Synonyms	Methyl Viologen Paraquat
Molecule Category	Salt-form
UNII	2KZ83GSS73
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Methyl Viologen

Paraquat

Molecule Category

Salt-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	FIKAKWIAUPDISJ-UHFFFAOYSA-L
Smiles	[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2
InChI	InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

InChI Key

FIKAKWIAUPDISJ-UHFFFAOYSA-L

Smiles

[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2

InChI

InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

Property Name	Value
Molecular Formula	C12H14Cl2N2
Molecular Weight	257.16
AlogP	2.56
Number of Rotational Bond	1.0
Polar Surface Area	7.76
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H14Cl2N2

Molecular Weight

257.16

AlogP

2.56

Number of Rotational Bond

1.0

Polar Surface Area

7.76

Heavy Atoms

14.0

Resources	Reference
ChEMBL	CHEMBL458019
FDA SRS	2KZ83GSS73
PubChem	15938
SureChEMBL	SCHEMBL21653

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PARAQUAT DICHLORIDE

Structure

Physicochemical Descriptors

Cross References