EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BBH748YTP2
EPA CompTox	DTXSID40216885

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BBH748YTP2

EPA CompTox

DTXSID40216885


InChI Key	SGDQOAKAHLFKBV-UHFFFAOYSA-N
Smiles	O1CCOCCOCCN(C=2C=CC=CC2)CCOCC1
InChI	InChI=1/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2

InChI Key

SGDQOAKAHLFKBV-UHFFFAOYSA-N

Smiles

O1CCOCCOCCN(C=2C=CC=CC2)CCOCC1

InChI

InChI=1/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2

Property Name	Value
Molecular Formula	C16H25NO4
Molecular Weight	295.18
AlogP	1.57
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	40.16
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H25NO4

Molecular Weight

295.18

AlogP

1.57

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

1.0

Polar Surface Area

40.16

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	66750-10-5
NORMAN SUSDAT
FDA SRS	BBH748YTP2
PubChem	626432

Resources

Reference

CAS NUMBER

66750-10-5

NORMAN SUSDAT

FDA SRS

BBH748YTP2

PubChem

626432

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...

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Last update: Monday, 3 November 2025

13-PHENYL-1,4,7,10-TETRAOXA-13-AZACYCLOPENTADECANE

Structure

Physicochemical Descriptors

Cross References