EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID70803429

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID70803429


InChI Key	IDUORIHIPQGGGX-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO
InChI	InChI=1S/C20H43NO10/c22-3-7-26-11-15-30-19-17-28-13-9-24-5-1-21-2-6-25-10-14-29-18-20-31-16-12-27-8-4-23/h21-23H,1-20H2

InChI Key

IDUORIHIPQGGGX-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO

InChI

InChI=1S/C20H43NO10/c22-3-7-26-11-15-30-19-17-28-13-9-24-5-1-21-2-6-25-10-14-29-18-20-31-16-12-27-8-4-23/h21-23H,1-20H2

Property Name	Value
Molecular Formula	C20H43NO10
Molecular Weight	457.29
AlogP	-1.31
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	28.0
Polar Surface Area	126.33
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C20H43NO10

Molecular Weight

457.29

AlogP

-1.31

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

28.0

Polar Surface Area

126.33

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	63721-06-2
NORMAN SUSDAT
PubChem	71380945
ChemSpider	57509523.0

Resources

Reference

CAS NUMBER

63721-06-2

NORMAN SUSDAT

PubChem

71380945

ChemSpider

57509523.0

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

AMINES, TALLOW, 5+5 EO (R=H)

Structure

Physicochemical Descriptors

Cross References