EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	NRHOZVHFMTUETB-OUKQBFOZSA-N
Smiles	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI	InChI=1S/C52H105NO17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-54-21-23-56-25-27-58-29-31-60-33-35-62-37-39-64-41-43-66-45-47-68-49-51-70-52-50-69-48-46-67-44-42-65-40-38-63-36-34-61-32-30-59-28-26-57-24-22-55-20-18-53/h12-13H,2-11,14-53H2,1H3/b13-12+

InChI Key

NRHOZVHFMTUETB-OUKQBFOZSA-N

Smiles

CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

InChI

InChI=1S/C52H105NO17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-54-21-23-56-25-27-58-29-31-60-33-35-62-37-39-64-41-43-66-45-47-68-49-51-70-52-50-69-48-46-67-44-42-65-40-38-63-36-34-61-32-30-59-28-26-57-24-22-55-20-18-53/h12-13H,2-11,14-53H2,1H3/b13-12+

Property Name	Value
Molecular Formula	C52H105NO17
Molecular Weight	1015.74
AlogP	6.26
Hydrogen Bond Acceptor	18.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	66.0
Polar Surface Area	182.93
Heavy Atoms	70.0

Property Name

Value

Molecular Formula

C52H105NO17

Molecular Weight

1015.74

AlogP

6.26

Hydrogen Bond Acceptor

18.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

66.0

Polar Surface Area

182.93

Heavy Atoms

70.0

Resources	Reference
NORMAN SUSDAT
PubChem	139596292

Resources

Reference

NORMAN SUSDAT

PubChem

139596292

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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-OCTADEC-6-ENOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANAMINE (AMINES, C18 MOST STABLE UNSATURATED 17 EO)

Structure

Physicochemical Descriptors

Cross References