EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60178698

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60178698


InChI Key	ALSQUFVBKLVFCC-UHFFFAOYSA-N
Smiles	O1CCOCCNCCOCCOCCNCCOCC1
InChI	InChI=1/C14H30N2O5/c1-5-17-9-10-18-6-2-16-4-8-20-12-14-21-13-11-19-7-3-15-1/h15-16H,1-14H2

InChI Key

ALSQUFVBKLVFCC-UHFFFAOYSA-N

Smiles

O1CCOCCNCCOCCOCCNCCOCC1

InChI

InChI=1/C14H30N2O5/c1-5-17-9-10-18-6-2-16-4-8-20-12-14-21-13-11-19-7-3-15-1/h15-16H,1-14H2

Property Name	Value
Molecular Formula	C14H30N2O5
Molecular Weight	306.22
AlogP	-0.74
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Polar Surface Area	70.21
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C14H30N2O5

Molecular Weight

306.22

AlogP

-0.74

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Polar Surface Area

70.21

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	23978-10-1
NORMAN SUSDAT
PubChem	90322

Resources

Reference

CAS NUMBER

23978-10-1

NORMAN SUSDAT

PubChem

90322

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

1,4,7,13,16-PENTAOXA-10,19-DIAZACYCLOHENICOSANE

Structure

Physicochemical Descriptors

Cross References