EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90185173

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90185173


InChI Key	STHIZMRUXPMSCW-UHFFFAOYSA-N
Smiles	C1COCCNCCOCCOCCN1
InChI	InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2

InChI Key

STHIZMRUXPMSCW-UHFFFAOYSA-N

Smiles

C1COCCNCCOCCOCCN1

InChI

InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2

Property Name	Value
Molecular Formula	C10H22N2O3
Molecular Weight	218.16
AlogP	-0.77
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Polar Surface Area	51.75
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H22N2O3

Molecular Weight

218.16

AlogP

-0.77

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Polar Surface Area

51.75

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	31249-95-3
NORMAN SUSDAT
PubChem	123435
ChemSpider	110032.0

Resources

Reference

CAS NUMBER

31249-95-3

NORMAN SUSDAT

PubChem

123435

ChemSpider

110032.0

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

1,4,10-TRIOXA-7,13-DIAZACYCLOPENTADECANE

Structure

Physicochemical Descriptors

Cross References