EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form


InChI Key	ODGZOZAHFLIINP-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO
InChI	InChI=1S/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-22(24)29-21-20-28-19-18-27-17-16-26-15-14-25-13-12-23/h23H,2-21H2,1H3

InChI Key

ODGZOZAHFLIINP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO

InChI

InChI=1S/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-22(24)29-21-20-28-19-18-27-17-16-26-15-14-25-13-12-23/h23H,2-21H2,1H3

Property Name	Value
Molecular Formula	C22H44O7
Molecular Weight	420.31
AlogP	3.51
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	24.0
Polar Surface Area	83.45
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C22H44O7

Molecular Weight

420.31

AlogP

3.51

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

24.0

Polar Surface Area

83.45

Heavy Atoms

29.0

Resources	Reference
NORMAN SUSDAT
PubChem	22355614

Resources

Reference

NORMAN SUSDAT

PubChem

22355614

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

PEG MONOLAURATE N5

Structure

Physicochemical Descriptors

Cross References