EcoDrugPlus


Molecule Category	Salt-form
UNII	PPL2215L82
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 ...

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	UHZZMRAGKVHANO-UHFFFAOYSA-M
Smiles	[Cl-].C[N+](C)(C)CCCl
InChI	InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

InChI Key

UHZZMRAGKVHANO-UHFFFAOYSA-M

Smiles

[Cl-].C[N+](C)(C)CCCl

InChI

InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C5H13ClN.Cl
Molecular Weight	158.07
AlogP	-0.37
Number of Rotational Bond	2.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C5H13ClN.Cl

Molecular Weight

158.07

AlogP

-0.37

Number of Rotational Bond

2.0

Heavy Atoms

7.0

Resources	Reference
ChEMBL	CHEMBL118539
FDA SRS	PPL2215L82
PubChem	13836
SureChEMBL	SCHEMBL54309

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...

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Last update: Monday, 3 November 2025

CHLORMEQUAT CHLORIDE

Structure

Physicochemical Descriptors

Cross References