EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID80182752

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID80182752


InChI Key	MGFYIUFZLHCRTH-UHFFFAOYSA-K
Smiles	C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]
InChI	InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-3

InChI Key

MGFYIUFZLHCRTH-UHFFFAOYSA-K

Smiles

C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-3

Property Name	Value
Molecular Formula	C6H6NO6
Molecular Weight	188.02
AlogP	-5.46
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	6.0
Polar Surface Area	123.63
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H6NO6

Molecular Weight

188.02

AlogP

-5.46

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

6.0

Polar Surface Area

123.63

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	28528-44-1
NORMAN SUSDAT
PubChem	3081459
ChemSpider	2339062.0

Resources

Reference

CAS NUMBER

28528-44-1

NORMAN SUSDAT

PubChem

3081459

ChemSpider

2339062.0

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

NITRILOTRIACETAT

Structure

Physicochemical Descriptors

Cross References