EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	0DS7R9NQB0
EPA CompTox	DTXSID60228248

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

0DS7R9NQB0

EPA CompTox

DTXSID60228248


InChI Key	PALPTWOXTUVPKA-UHFFFAOYSA-M
Smiles	[K+].[O-]S(=O)(=O)NC1CCCCC1
InChI	InChI=1S/C6H13NO3S.K/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

InChI Key

PALPTWOXTUVPKA-UHFFFAOYSA-M

Smiles

[K+].[O-]S(=O)(=O)NC1CCCCC1

InChI

InChI=1S/C6H13NO3S.K/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

Property Name	Value
Molecular Formula	C6H12KNO3S
Molecular Weight	217.02
AlogP	-2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	69.23
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H12KNO3S

Molecular Weight

217.02

AlogP

-2.63

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

69.23

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	7758-04-5
NORMAN SUSDAT
FDA SRS	0DS7R9NQB0
PubChem	23675766

Resources

Reference

CAS NUMBER

7758-04-5

NORMAN SUSDAT

FDA SRS

0DS7R9NQB0

PubChem

23675766

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

POTASSIUM CYCLAMATE

Structure

Physicochemical Descriptors

Cross References